55285-14-8

• 常用中文名：丁硫克百威溶液
• 常用英文名：Carbosulfan
• CAS号：55285-14-8
• 分子式：C₂₀H₃₂N₂O₃S
• 分子量：380.545
• 相关类别： 化学农药原药 杀虫剂 氨基甲酸酯杀虫剂
• 发布时间：2018-02-07 08:00:00
• 更新时间：2024-01-05 09:00:09
• Carbosulfan强效抑制CYP3A4, 适度抑制CYP1A1/2和CYP2C19。

名称

• 中文名: 丁硫克百威
• 英文名: carbosulfan
• 中文别名: 好安威; 丁硫威; 2,3-二氢-2,2-二甲基苯并呋喃-7-基 (二丁基氨基硫)N-甲基氨基甲酸酯; 2,3-二氢-2,2-二甲基苯并呋喃-7-基(二丁基氨基硫)甲基氨基甲酸酯; 丁呋丹; 好年冬
• 英文别名: 2,3-dihydro-2,2-dimethyl-7-benzofuranyl N-[(dibutylamino)thio]-N-methylcarbamate; marshall; Carbosulfan; Sheriff; MARSHAL; 2,3-dihydro-2,2-dimethylbenzofuran-7-yl (dibutylaminothio)methylcarbamate; AMITAGE; DBSC; EINECS 259-565-9; MFCD00143930; 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate; Posse; Versal; BRIGHT

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 462.5±55.0 °C at 760 mmHg
• 分子式: C₂₀H₃₂N₂O₃S
• 分子量: 380.545
• 闪点: 233.5±31.5 °C
• 精确质量: 380.213348
• PSA: 67.31000
• LogP: 6.05
• 外观性状: 黏的棕色液体
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.540
• 储存条件:

  密封、在 0-6 ºC下保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:5

  4.可旋转化学键数量:10

  5.互变异构体数量:无

  6.拓扑分子极性表面积67.3

  7.重原子数量:26

  8.表面电荷:0

  9.复杂度:439

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，9mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（°C）：96

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

生物活性

• 描述: Carbosulfan强效抑制CYP3A4, 适度抑制CYP1A1/2和CYP2C19。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 细胞色素P450
  研究领域 >> 感染
• 参考文献:

  [1]. Abass K, et al. Metabolism of carbosulfan II. Human interindividual variability in its in vitro hepatic biotransformation and the identification of the cytochrome P450 isoforms involved. Chem Biol Interact. 2010 May 14;185(3):163-173.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: Carbosulfan REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 55285-14-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 3), H301 Acute toxicity, Inhalation (Category 2), H330 Skin sensitisation (Category 1), H317 Acute aquatic toxicity (Category 1), H400 Chronic aquatic toxicity (Category 1), H410 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC T ToxicR25 R43 N Dangerous for theR50/53 environment T+ Very toxicR26 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) H301Toxic if swallowed. H317May cause an allergic skin reaction. H330Fatal if inhaled. H410Very toxic to aquatic life with long lasting effects. Precautionary statement(s) P260Do not breathe dust/ fume/ gas/ mist/ vapours/ spray. P273Avoid release to the environment. P280Wear protective gloves. P284Wear respiratory protection. P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. P310Immediately call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards - none SECTION 3: Composition/information on ingredients Formula: C20H32N2O3S Molecular Weight: 380,5 g/mol Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration Carbosulfan CAS-No.55285-14-8Acute Tox. 3; Acute Tox. 2;<= 100 % EC-No.259-565-9Skin Sens. 1; Aquatic Acute 1; Index-No.006-084-00-5Aquatic Chronic 1; H301, H317, H330, H410 Hazardous ingredients according to Directive 1999/45/EC ComponentClassificationConcentration Carbosulfan CAS-No.55285-14-8T+, N, R25 - R26 - R43 -<= 100 % EC-No.259-565-9R50/53 Index-No.006-084-00-5 For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Sulphur oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and no data available boiling range g) Flash point96 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressure0,00 hPa at 20 °C l) Vapour densityno data available m) Relative density1,056 g/cm3 n) Water solubilityinsoluble o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity LD50 Oral - rat - 51 mg/kg LC50 Inhalation - rat - 1 h - 1.530 mg/m3 LD50 Dermal - rabbit - > 2.000 mg/kg Skin corrosion/irritation Skin - rabbit Result: Mild skin irritation Serious eye damage/eye irritation no data available Respiratory or skin sensitisation Causes sensitisation. Germ cell mutagenicity Human lymphocyte Cytogenetic analysis Human lymphocyte Other mutation test systems rat Cytogenetic analysis mouse Micronucleus test Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available SECTION 12: Ecological information Toxicity Toxicity to fishLC50 - Pollimyrus isidori - 0,071 mg/l - 72,0 h Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects Very toxic to aquatic life. SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 2810IMDG: 2810IATA: 2810 UN proper shipping name ADR/RID: TOXIC LIQUID, ORGANIC, N.O.S. (Carbosulfan) IMDG: TOXIC LIQUID, ORGANIC, N.O.S. (Carbosulfan) IATA:Toxic liquid, organic, n.o.s. (Carbosulfan) Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: yesIMDG Marine pollutant: yesIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Full text of H-Statements referred to under sections 2 and 3. Acute Tox.Acute toxicity Aquatic AcuteAcute aquatic toxicity Aquatic ChronicChronic aquatic toxicity H301Toxic if swallowed. H317May cause an allergic skin reaction. H330Fatal if inhaled. H400Very toxic to aquatic life. H410Very toxic to aquatic life with long lasting effects. Full text of R-phrases referred to under sections 2 and 3 NDangerous for the environment T+Very toxic R25Toxic if swallowed. R26Very toxic by inhalation. R43May cause sensitisation by skin contact. R50/53Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Further information Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 1、皮肤/眼睛刺激性：标准德来塞实验：兔子皮肤接触，500 μL/24HREACTION SEVERITY，强烈反应； 2、急性毒性：大鼠经口LD50：51mg/kg；大鼠吸入LC50：1530mg/m ^3/1H；大鼠皮肤接触LD50：>2mg/kg；小鼠经口LD50：74mg/kg；兔子皮肤接触LD50：>2mg/kg；鹌鹑经口LD50：82mg/kg；鸭经口LD50：8100μg/kg；野生鸟类经口LD50：26mg/kg； 3、 致突变性：突变试验：人类淋巴细胞，500ppb； 细胞生成分析实验：人类淋巴细胞，10ppb；细胞生成分析实验：大鼠腹膜腔，12500μg/kg；微核试验：小鼠腹膜腔，29600μg/kg； 生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : EZ3815000 CHEMICAL NAME : Carbamic acid, ((dibutylamino)thio)methyl-, 2,2-dimethyl-2,3-dihydro-7-benzofuranyl ester CAS REGISTRY NUMBER : 55285-14-8 LAST UPDATED : 199712 DATA ITEMS CITED : 16 MOLECULAR FORMULA : C20-H32-N2-O3-S MOLECULAR WEIGHT : 380.60 WISWESSER LINE NOTATION : T56 BOT&J C1 C1 HOVN1&SN4&4 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 51 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1530 mg/m3/1H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 74 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - quail DOSE/DURATION : 82 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - duck DOSE/DURATION : 8100 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 26 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : Mutation test systems - not otherwise specified TYPE OF TEST : Cytogenetic analysis MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 29600 ug/kg REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 345,111,1995

安全

• 符号: GHS06, GHS09
• 信号词: Danger
• 危害声明: H301-H317-H330-H410
• 警示性声明: P260-P273-P280-P284-P301 + P310-P310
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): T:Toxic
• 风险声明 (欧洲): R23/25;R43;R50/53
• 安全声明 (欧洲): S24-S37-S38-S45-S60-S61
• 危险品运输编码: UN 2810
• RTECS号: EZ3815000
• 包装等级: III
• 危险类别: 6.1(b)

上下游产品

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制备

制备方法一
二正丁氨基氯化硫的制备 加入二正丁胺、石油醚（60～90℃），搅拌冷却至0℃，然后缓慢滴加二氯化二硫，维持0～10℃，加毕后保温反应2h，二正丁胺、二氯化二硫、硫酰氯的配比为1:0.6:0.55(mol)，收率88%。
丁硫克百威的合成 二正丁氨基氯化硫与克百威反应，配比为1:1，反应过程加适量碱液，反应温度10～20℃。反应时间2h。反应毕加水搅拌10min，过滤，滤潭为未反应克百威，可回用。滤液分层，油层减压脱溶，收率90%。
制备方法二
中间体羟基化合物的合成方法见克百威。也有文献报道，由环己酮和异丁醛出发，经过叉醇醛缩合、氯化反应、芳环化反应、水解反应、闭环反应五步合成。其特点是由非芳香族化合物合成，是一种选择性很高的合成路线。

中间体羟基化合物的合成方法见克百威。也有文献报道，由环己酮和异丁醛出发，经过叉醇醛缩合、氯化反应、芳环化反应、水解反应、闭环反应五步合成。其特点是由非芳香族化合物合成，是一种选择性很高的合成路线。