3355-28-0 (1-溴-2-丁炔,1-bromobut-2-yne)

CAS号:
3355-28-0
中文名称:
1-溴-2-丁炔
英文名称:
1-bromobut-2-yne
安全信息:
分子式:
C4H5Br
分子量:
132.986500501633

1-溴-2-丁炔(3355-28-0)名称与标识符

名称

中文别名:
1-溴-2-丁炔;1-溴-2-丁炔 利拉利汀中间体;1-溴二丁炔;2-丁炔-1-溴;1-溴-2-丁炔(利拉利汀);1-Bromo-2-butyne 1-溴-2-丁炔;2-丁炔基溴;1-溴-2-丁炔 利拉利汀中间体 25G;1-溴-2-丁炔, 96.0%(GC);1-溴-2-丁炔,98%;
英文别名:
1-bromo-2-butyne;2-BUTYNYL BROMIDE;1-Bromobut-2-yne;But-2-yn-1-yl bromide;1-broMo -2-Ding Que;1-Bromo-2-butyn;1-bromanylbut-2-yne;1-bromo-but-2-yne;2-Butyne,1-bromo;4-Bromobut-2-yne;but-2-ynyl bromide;1-Bromobut-2-yne 95%;1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%;1-BROMO-2-BUTYNE 98%;1-Bromo-2-butyne,98%;3355-28-0;AB91641;1-bromo2-butyne;FT-0634801;LNNXOEHOXSYWLD-UHFFFAOYSA-N;SCHEMBL41298;4-bromo-2-butyne;AMY1227;EN300-61875;B2190;but-2-ynylbromide;1-bromo-2-butine;1-Bromo-2-butyne, 99%;BCP17711;AKOS005256637;NS00123228;AS-20130;?1-BROMO-2-BUTYNE;C4H5Br;MFCD00190233;J-504388;DTXSID10373595;2-Butyne, 1-bromo-;bromo-2-butyne;A821831;F0001-0987;l-bromo-2-butine;1-Bromo-2-Butyne,97%;STL557256;DB-019062;DTXCID50324627;BBL103446;

标识符

MDL:
MFCD00190233
InChIKey:
LNNXOEHOXSYWLD-UHFFFAOYSA-N
Inchi:
1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
SMILES:
BrCC#CC
BRN:
605306

1-溴-2-丁炔(3355-28-0)物化性质

实验特性

  • LogP : 1.40460
  • PSA : 0.00000
  • 折射率 : n20/D 1.508(lit.)
  • 沸点 : 40-41 °C/20 mmHg(lit.)
  • 闪点 : 华氏:96.8 °F
    摄氏:36 °C
  • 溶解度 : Miscible with acetonitrile.
  • 颜色与性状 : 黄色液体
  • 溶解性 : 完全可拌和的
  • 密度 : 1.519 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 131.95700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 131.957
  • 重原子数量 : 5
  • 复杂度 : 62.2
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.6
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0A^2

1-溴-2-丁炔(3355-28-0)安全信息

1-溴-2-丁炔(3355-28-0)国际标准相关数据

EINECS:
MFCD00190233

1-溴-2-丁炔(3355-28-0)海关数据

海关编码:
2903399090
海关数据:

中国海关编码:

2903399090

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%

1-溴-2-丁炔(3355-28-0)生产方法和用途

用途:
利拉利汀的中间体,利拉列汀中间体。

1-溴-2-丁炔(3355-28-0)上下游

1-溴-2-丁炔(3355-28-0)相关文献

1-溴-2-丁炔(3355-28-0)参考资料

Reaxys RN:
605306
Beilstein:
1(4)974
PubChem CID:

1-溴-2-丁炔(3355-28-0) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      1-Bromo-2-butyne    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    Flammable liquid and vapour
    H226:

Section 3. Composition/information on ingredients.
    Ingredient name:        1-Bromo-2-butyne    
    CAS number:        3355-28-0    

Section 4. 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    
    ?ushing of the eyes by separating the eyelids with ?ngers. 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.    

Section 5. Fire ?ghting measures
    In the event of a ?re 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.

Section 6. 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.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

Section 8. 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.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C4H5Br    
    Molecular weight:        133.0    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen bromide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. 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.

Section 14. Transportation information
    UN Number:        UN1993        Class: 3        Packing group: III    
    Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (1-Bromo-2-butyne)

Section 15. 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