7439-86-3

• 常用中文名：2,2,2-氘代溴乙烷
• 常用英文名：2-bromo-1,1,1-trideuterioethane
• CAS号：7439-86-3
• 分子式：C₂H₂BrD₃
• 分子量：111.98400
• 发布时间：2018-07-24 17:01:54
• 更新时间：2024-01-08 12:09:07
• 下载msds

名称

• 中文名: 2,2,2-氘代溴乙烷
• 英文名: 2-bromo-1,1,1-trideuterioethane
• 中文别名: 溴乙烷-2,2,2-d3; 乙基溴-2,2,2-d3
• 英文别名: Ethyl-2,2,2-d3 bromide; D3-ethylbromide; MFCD00143875; Bromoethane-2,2,2-d3; 2,2,2-[D3]ethyl bromide; 2,2,2-(2)H3-ethyl bromide; 2-bromo-1,1,1-trideuterio-ethane

物化性质

• 密度: 1.500 g/mL at 25ºC
• 沸点: 37-40ºC(lit.)
• 熔点: -119ºC(lit.)
• 分子式: C₂H₂BrD₃
• 分子量: 111.98400
• 闪点: -10 °F
• 精确质量: 110.97600
• LogP: 1.40120
• 折射率: n20/D 1.4235(lit.)
• 储存条件:

  密闭,阴凉干燥处保存

• 稳定性:

  避免强氧化剂,强碱，镁

  避免光，明火，高温

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：19.04

  2、 摩尔体积（m³/mol）：74.7

  3、 等张比容（90.2K）：163.8

  4、 表面张力（dyne/cm）：23.1

  5、 极化率（10^-24cm³）：7.55

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:3

  8.表面电荷:0

  9.复杂度:2.8

  10.同位素原子数量:3

  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/mLat 25°C）：1.500

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-199

  5. 沸点（ºC,常压）：37-40

  6. 沸点（ºC,0.1mmHg）：未确定

  7. 折射率（n20/D）：1.424

  8. 闪点（ºC）：未确定

  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（mmHg,37ºC）：未确定

  12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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 Product name: Bromoethane-2,2,2-d3 CAS-No.: 7439-86-3 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] Flammable liquids (Category 2) Carcinogenicity (Category 2) Acute toxicity, Inhalation (Category 4) Acute toxicity, Oral (Category 4) Classification according to EU Directives 67/548/EEC or 1999/45/EC Highly flammable. Limited evidence of a carcinogenic effect. Harmful by inhalation and if swallowed. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordDanger Hazard statement(s) H225Highly flammable liquid and vapour. H302Harmful if swallowed. H332Harmful if inhaled. H351Suspected of causing cancer. Precautionary statement(s) P210Keep away from heat/sparks/open flames/hot surfaces. - No smoking. P281Use personal protective equipment as required. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R11Highly flammable. R20/22Harmful by inhalation and if swallowed. R40Limited evidence of a carcinogenic effect. S-phrase(s) S36/37Wear suitable protective clothing and gloves. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: Ethyl-2,2,2-d3 bromide Ethyl-2,2,2-d3 bromide Formula: C2D3H2Br Molecular Weight: 111,98 g/mol ComponentConcentration Bromoethane-2,2,2-d3 CAS-No.7439-86-3- 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 Flush eyes with water as a precaution. 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 prolonged or repeated exposure can cause:, Nausea, Dizziness, Headache, narcosis Indication of any immediate medical attention and special treatment needed no data available Section5. 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, Hydrogen bromide gas 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). 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. Store under inert gas. hygroscopic 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, Flame retardant antistatic protective clothing, 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 AXBEK (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: liquid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: -119 °C - lit. point f) Initial boiling point and 37 - 40 °C - lit. boiling range g) Flash pointno data available 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 density1,500 g/mL at 25 °C1,500 g/cm3 at 25 °C 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. Extremes of temperature and direct sunlight. Incompatible materials Strong oxidizing agents 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 Germ cell mutagenicity no data available Carcinogenicity Limited evidence of carcinogenicity in animal studies IARC:3 - Group 3: Not classifiable as to its carcinogenicity to humans (Bromoethane-2,2,2-d3) 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 Potential health effects InhalationHarmful if inhaled. May cause respiratory tract irritation. IngestionHarmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Signs and Symptoms of Exposure prolonged or repeated exposure can cause:, Nausea, Dizziness, Headache, narcosis 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 Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 1891IMDG: 1891IATA: 1891 UN proper shipping name ADR/RID: ETHYL BROMIDE (Bromoethane-2,2,2-d3) IMDG: ETHYL BROMIDE (Bromoethane-2,2,2-d3) IATA:Ethyl bromide (Bromoethane-2,2,2-d3) Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIMDG: IIIATA: II 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

安全

• 符号: GHS02, GHS07, GHS08
• 信号词: Danger
• 危害声明: H225-H302 + H332-H351-H420
• 警示性声明: P210-P281
• 危害码 (欧洲): F,T
• 风险声明 (欧洲): R45
• 安全声明 (欧洲): S16-S26-S45-S53-S36-S37-S39
• 危险品运输编码: UN 1891 6.1/PG 2

合成路线

1759-87-1 ~74% 7439-86-3

文献：Bowen, Richard D.; Edwards, Howell G. M.; Farwell, Dennis W.; Morgan, Sara E Journal of Raman Spectroscopy, 2010 , vol. 41, # 12 p. 1725 - 1734

41251-37-0 74-95-3 ~% 7439-86-3

文献：Journal of the American Chemical Society, , vol. 109, # 25 p. 7602 - 7608

1112-02-3 ~% 7439-86-3

文献：Organic Mass Spectrometry, , vol. 26, # 8 p. 709 - 712

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