3355-28-0

• 常用中文名：1-溴-2-丁炔
• 常用英文名：1-Bromo-2-butyne
• CAS号：3355-28-0
• 分子式：C₄H₅Br
• 分子量：132.986
• 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：2018-03-15 08:00:00
• 更新时间：2024-01-02 11:25:53
• 【用途一】
  用来合成轴手性三元化合物。

名称

• 中文名: 1-溴-2-丁炔
• 英文名: 1-bromobut-2-yne
• 中文别名: 2-丁炔基溴
• 英文别名: 2-Butynyl Bromide; 1-bromanylbut-2-yne; 2-Butyne, 1-bromo-; 4-Bromobut-2-yne; but-2-ynyl bromide; MFCD00190233; 1-Bromo-2-butyne; 2-Butyne,1-bromo; 1-bromo-but-2-yne; 1-bromobut-2-yne

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 124.7±23.0 °C at 760 mmHg
• 分子式: C₄H₅Br
• 分子量: 132.986
• 闪点: 36.3±17.0 °C
• 精确质量: 131.957458
• LogP: 1.78
• 外观性状: 透明淡黄色-绿色液体
• 蒸汽压: 15.2±0.2 mmHg at 25°C
• 折射率: 1.490
• 储存条件:

  常温， 避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：26.31

  2、 摩尔体积（m³/mol）：91.0

  3、 等张比容（90.2K）：221.5

  4、 表面张力（dyne/cm）：35.0

  5、 极化率（10^-24cm³）：10.43

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  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:5

  8.表面电荷:0

  9.复杂度:62.2

  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：黄色液体

  2. 密度（g/mL,25/4℃）：1.519

  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）：123-125

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  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）：26

  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：完全可拌和的

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 1-Bromo-2-butyne Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Flammable liquid and vapour H226: Section3. Composition/information on ingredients. Ingredient name:1-Bromo-2-butyne CAS number:3355-28-0 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula:C4H5Br Molecular weight:133.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen bromide. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information UN Number:UN1993Class: 3Packing group: III Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (1-Bromo-2-butyne) Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. 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

安全

• 符号: GHS02
• 信号词: Warning
• 危害声明: H226
• 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): Xi
• 风险声明 (欧洲): R10
• 安全声明 (欧洲): S16
• 危险品运输编码: UN 1993 3/PG 3
• WGK德国: 3
• 包装等级: III
• 危险类别: 3
• 海关编码: 2903399090

合成路线

764-01-2 ~90% 3355-28-0

文献：Bashiardes, George; Safir, Imad; Barbot, Francis; Laduranty, Joelle Tetrahedron Letters, 2003 , vol. 44, # 46 p. 8417 - 8420

764-01-2 7789-60-8 ~58% 3355-28-0

文献：The Upjohn Company Patent: US4487960 A1, 1984 ;

113984-38-6 ~56% 4128-37-4 3355-28-0

文献：Collingwood, Stephen P; Davies, Alan P; Golding, Bernard T Tetrahedron Letters, 1987 , vol. 28, # 38 p. 4445 - 4448

2768-41-4 ~% 3355-28-0

文献：Tetrahedron, , vol. 33, p. 2937 - 2948

53799-88-5 ~% 3355-28-0

文献：Synthesis, , p. 730 - 732

53799-85-2 74-88-4 ~% 3355-28-0

文献：European Journal of Medicinal Chemistry, , vol. 10, # 5 p. 507 - 513

上下游产品

上游产品  6
764-01-2 7789-60-8 113984-38-6 2768-41-4
53799-85-2 74-88-4
下游产品  10
105643-77-4 108-94-1 22509-75-7 188025-73-2
128-09-6 75-98-9 110-54-3 2520-99-2
764-35-2 764-73-8

海关

海关编码	2903399090
中文概述	2903399090. 其他无环烃的氟化、溴化或碘化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%