24277-44-9

• 常用中文名：(R)-(-)-1-苯乙基乙硫氰酸酯
• 常用英文名：D-alpha-Methylbenzyl isothiocyanate
• CAS号：24277-44-9
• 分子式：C₉H₉NS
• 分子量：163.23900
• 相关类别： 分析化学 分析试剂 常用分析试剂
• 发布时间：2018-12-27 12:35:22
• 更新时间：2024-01-08 19:12:43
• D-alpha-Methylbenzyl isothiocyanate is an antioxidant that induces phase II enzyme activity. It is also used as a chiral agent.

名称

• 中文名: (R)-(-)-1-苯乙基 硫代异氰酸酯
• 英文名: [(1R)-1-isothiocyanatoethyl]benzene
• 中文别名: (-)-异硫氰酸α-甲基苄酯; (-)-1-苯乙基异硫氰酸酯; D-甲基异硫氰酸苄酯
• 英文别名: D-A-Methylbenzyl isothiocyanate; MFCD00135478

物化性质

• 密度: 1.06
• 沸点: 246.4ºC at 760mmHg
• 分子式: C₉H₉NS
• 分子量: 163.23900
• 闪点: 102.3ºC
• 精确质量: 163.04600
• PSA: 44.45000
• LogP: 2.85040
• 外观性状: 黄色液体
• 蒸汽压: 0.0427mmHg at 25°C
• 折射率: 1.581
• 储存条件:

  2-8℃

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物，酒精，胺，水分/潮湿

• 分子结构:

  1、 摩尔折射率：51.66

  2、 摩尔体积（m³/mol）：161.3

  3、 等张比容（90.2K）：388.0

  4、 表面张力（dyne/cm）：33.4

  5、 极化率（10 ^-24cm ³）：20.48

• 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:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积44.4

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:155

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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：黄色液体，刺激性气味

  2. 密度（g/mL,25/4℃）：1.06

  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,20mmhg）：132-133

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.5810

  8. 闪点（ºC）：103

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kpa,20ºC）：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

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers : (−)-α-Methylbenzyl isothiocyanate Product name CAS-No.: 24277-44-9 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Skin irritation (Category 2) Eye irritation (Category 2) Respiratory sensitization (Category 1) Skin sensitization (Category 1) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Irritating to eyes, respiratory system and skin. May cause sensitization by inhalation. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H315Causes skin irritation. H317May cause an allergic skin reaction. H319Causes serious eye irritation. H334May cause allergy or asthma symptoms or breathing difficulties if inhaled. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing vapours. P280Wear protective gloves. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R36/37/38Irritating to eyes, respiratory system and skin. R42May cause sensitization by inhalation. S-phrase(s) S22Do not breathe dust. S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Caution - substance not yet tested completely. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances : (−)-1-Phenylethyl isothiocyanate Synonyms Formula: C9H9NS Molecular Weight: 163,24 g/mol ComponentConcentration (-)-alpha -Methylbenzyl isothiocyanate CAS-No.24277-44-9- Section4. 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. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Do NOT induce vomiting. 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 burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. 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 Use water spray to cool unopened containers. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. 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. Recommended storage temperature: 2 - 8 °C Store under inert gas. Moisture sensitive. Exposure to moisture. Specific end uses no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. 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). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: clear, liquid Colour: yellow 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 121 °C at 13 hPa boiling range g) Flash point66 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,082 g/cm3 n) Water solubilityno data available o) Partition coefficient: n-no data available octanol/water p) Autoignitionno 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 Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong acids, Strong bases Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available May cause allergic respiratory and skin reactions Germ cell mutagenicity no data available 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 Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Causes respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. Signs and Symptoms of Exposure burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 在皮肤上：造成腐蚀性影响。 在眼睛上：强烈的腐蚀性影响。 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 22-26-45
• 危险品运输编码: UN 2810
• WGK德国: 3
• 包装等级: III
• 海关编码: 2930909090

合成路线

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海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%