| 中文名 | 丁烷-1,1,1,4,4,4-d6 |
|---|---|
| 英文名 | 1,1,1,4,4,4-hexadeuteriobutane |
| 英文别名 |
Butane-1,1,1,4,4,4-d6
n-butane-1,1,1,4,4,4-d6 MFCD00190392 1,1,1,4,4,4-hexadeuterio-butane 1,1,1,4,4,4-Hexadeuterio-butan |
| 密度 | 2.11 (vs air) |
|---|---|
| 沸点 | -0.5ºC(lit.) |
| 熔点 | -138ºC(lit.) |
| 分子式 | C4H4D6 |
| 分子量 | 64.15920 |
| 精确质量 | 64.11590 |
| LogP | 1.80640 |
| 蒸汽压 | 1920mmHg at 25°C |
| 折射率 | 1.354 |
| 分子结构 | 1、摩尔折射率：20.58 2、摩尔体积（cm3/mol）：94.5 3、等张比容（90.2K）：191.2 4、表面张力（dyne/cm）：16.7 5、介电常数：1.76 6、极化率（10-24cm3）：8.15 7、单一同位素质量：64.115911 Da 8、标称质量：64 Da 9、平均质量：64.1592 Da |
| 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:0 4.可旋转化学键数量:1 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:4 8.表面电荷:0 9.复杂度:2 10.同位素原子数量:6 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：不可用 2．密度（g/mL,25/4℃）：不可用 3．相对蒸汽密度（g/mL,空气=1）：2.11 4．熔点（ºC）：-138 5．沸点（ºC,常压）：-0.5 6．沸点（ºC,5.2kPa）：不可用 7．折射率：不可用 8．闪点（ºC）：不可用 9．比旋光度（º）：不可用 10．自燃点或引燃温度（ºC）：不可用 11．蒸气压（kPa,25ºC）：不可用 12．饱和蒸气压（kPa,60ºC）：不可用 13．燃烧热（KJ/mol）：不可用 14．临界温度（ºC）：不可用 15．临界压力（KPa）：不可用 16．油水（辛醇/水）分配系数的对数值：不可用 17．爆炸上限（%,V/V）：不可用 18．爆炸下限（%,V/V）：不可用 19．溶解性：不可用 |
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Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Butane-1,1,1,4,4,4-d6 CAS-No.: 13183-67-0 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] Gases under pressure (Liquefied gas) Classification according to EU Directives 67/548/EEC or 1999/45/EC Extremely flammable. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordWarning Hazard statement(s) H280Contains gas under pressure; may explode if heated. Precautionary statement(s) P410 + P403Protect from sunlight. Store in a well-ventilated place. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R12Extremely flammable. S-phrase(s) S16Keep away from sources of ignition - No smoking. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C4D6H4 Molecular Weight: 64,16 g/mol ComponentConcentration Butane-1,1,1,4,4,4-d6 CAS-No.13183-67-0- 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 narcosis, Dermatitis Indication of any immediate medical attention and special treatment needed no data available Section5. FIRE-FIGHTING 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 no data available 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 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 Clean up promptly by sweeping or vacuum. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling 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. 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 impervious clothing, 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: Liquefied gas b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: -138 °C - lit. point f) Initial boiling point and -0,5 °C - lit. boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerUpper explosion limit: 8,40 %(V) flammability orLower explosion limit: 1,80 %(V) explosive limits k) Vapour pressure2.426 hPa at 25,00 °C 3.556,67 hPa at 37,70 °C l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 2,890 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 no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available LC50 Inhalation - rat - 4,00 h - 658.000 mg/m3 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 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 Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Signs and Symptoms of Exposure narcosis, Dermatitis 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: 2037IMDG: 2037IATA: 2037 UN proper shipping name ADR/RID: RECEPTACLES, SMALL, CONTAINING GAS IMDG: IATA: Transport hazard class(es) ADR/RID: 2.2IMDG: 2.2IATA: 2.2 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 |
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毒理学数据: 急性毒性：不可用。 生态学数据: 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
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| 符号 |
GHS02, GHS04 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H220-H280 |
| 警示性声明 | P210-P377-P381-P410 + P403 |
| 危害码 (欧洲) | F: Flammable;Xi: Irritant; |
| 风险声明 (欧洲) | 11-36/37 |
| 安全声明 (欧洲) | 16-26-33-38 |
| 危险品运输编码 | UN 1011 2.1 |
| 上游产品 0 | |
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| 下游产品 7 | |
