628-77-3

• 常用中文名：1,5-二碘戊烷
• 常用英文名：1,5-Diiodopentane
• CAS号：628-77-3
• 分子式：C₅H₁₀I₂
• 分子量：323.942
• 相关类别： 有机原料 烃类化合物及其衍生物 烃类卤化物
• 发布时间：2018-02-21 08:00:00
• 更新时间：2024-01-03 12:16:52
• 下载msds

名称

• 中文名: 1,5-二碘戊烷
• 英文名: 1,5-Diiodopentane
• 中文别名: 1,5-二碘代戊烷
• 英文别名: 1,5-Diiodopentane; diiodopentane; 1,5-iodobutane; Pentane, 1,5-diiodo-; 1,5-diiodpentane; 1,4-diiodopentane; Pentane,5-diiodo; EINECS 211-054-1; PENTANE,1,5-DIIODO; Pentamethylene diiodide; MFCD00001101

物化性质

• 密度: 2.2±0.1 g/cm3
• 沸点: 264.3±8.0 °C at 760 mmHg
• 熔点: 9ºC
• 分子式: C₅H₁₀I₂
• 分子量: 323.942
• 闪点: 123.7±13.9 °C
• 精确质量: 323.887177
• LogP: 3.83
• 外观性状: 透明淡黄色至橙色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.604
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂，避光保存。

• 稳定性:

  远离氧化物，避光。

• 水溶解性: insoluble
• 分子结构:

  1、 摩尔折射率：51.15

  2、 摩尔体积（cm³/mol）：148.7

  3、 等张比容（90.2K）：379.0

  4、 表面张力（dyne/cm）：42.1

  5、 极化率（10-24cm3）：20.27

• 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:4

  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:7

  8.表面电荷:0

  9.复杂度:25.3

  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：浅色液体。

  2. 密度（g/mL,25/4℃）：2.177

  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,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.5992-1.6012

  8. 闪点（ºC）：＞110

  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,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：不溶于水。

MSDS

1,5-Diiodopentane (stabilized with Copper chip) Revision number: 6 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:1,5-Diiodopentane (stabilized with Copper chip) Revision number:6 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCauses skin irritation Causes serious eye irritation Precautionary statements: Wash hands thoroughly after handling. [Prevention] Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:1,5-Diiodopentane (stabilized with Copper chip) Percent:>98.0%(GC) CAS Number:628-77-3 Synonyms:Pentamethylene Diiodide (stabilized with Copper chip) C5H10I2 Chemical Formula: Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Section4. FIRST AID MEASURES Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Unsuitable extinguishing Solid streams of water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. A small amount of copper chip is added as a stabilizer. Separation such as filtration should be taken as necessary. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store under inert gas. Store away from incompatible materials such as oxidizing agents. Light-sensitive, Air-sensitive Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Form:Clear Slightly pale yellow - Reddish yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:9°C (Freezing point) Boiling point/range:102°C/0.4kPa Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:2.18 Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen Iodide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available RTECS Number:SA0425000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : SA0425000 CHEMICAL NAME : Pentane, 1,5-diiodo- CAS REGISTRY NUMBER : 628-77-3 BEILSTEIN REFERENCE NO. : 1697281 LAST UPDATED : 199701 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C5-H10-I2 MOLECULAR WEIGHT : 323.95 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 10 umol/plate REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 141,11,1984

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 危险品运输编码: 2810
• RTECS号: SA0425000
• 包装等级: III
• 危险类别: 6.1(b)

合成路线

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制备

1.制法：

参照上述1,4-二碘丁烷的制备方法，使用重新蒸馏的15-戊二醇(2)26g（0.25mol）代替1,4-丁二醇，得到1,5-二碘戊烷(1)65g,bp142～143℃/2.13kPa,收率80%。