Crotyl Chloride (Cis- And Trans- Mixture) 巴豆氯(顺反混合物)

CAS 591-97-9 MFCD00000987

化学结构图

591-97-9
SMILES: C/C=C/CCl

化学属性

Mol. FormulaCH3CH=CHCH2Cl
Mol. Weight91
Density0.923
Refractive index1.4280 to 1.4330
Boiling Point85-86
Melting Point-65
Flash Point-10°C(lit.)
Solubility不溶于水,溶于乙醇、丙酮、乙醚。

别名和识别编码

Chemical NameCrotyl Chloride (Cis- And Trans- Mixture)
Synonym Crotyl chloride TRANS-CROTYL CHLORIDE 1-氯丁烯 1-chloro-but-2-ene 2-Butene,1-chloro- 1-chloro-2-buten Crotyl Chloride (cis- and trans- mixture) (E)-2-Butenyl chloride TRANS-1-CHLORO-2-BUTENE (E)-巴豆氯 gamma-Methallyl chloride 2-butene, 1-chloro-, (E) 1-氯-2-丁烯(顺反异构体混合物) CIS,TRANS-1-CHLORO-2-BUTENE (e)-1-chlorobut-2-ene
MDL NumberMFCD00000987
CAS Number591-97-9
EC Number209-739-5
Beilstein Registry Number605304
PubChem Substance ID637923
Chemical Name Translation巴豆氯(顺反混合物)
Merck Number2130
Wiswesser Line NotationG2U2
LabNetwork Molecule IDLN01745722
InChIInChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
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分类

  • {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this third subvolume, the structure of molecules containing three for four carbon atoms are listed.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
  • R11 Highly flammable 非常易燃
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P303+P361+P353
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P337+P313
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H332 Harmful if inhaled 吸入有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302+H332
Hazard Codes F,C
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEM4264000
Packing GroupII
UN Number 1993 UN 2924 3/PG 2
Hazard Class3
Storage condition 0-6°C
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 umol/plate
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   29,2611,1980

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human HeLa cell
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   20,263,1983

其他信息

  • 上游原料:氢氧化钾溶液 --> 1,1-二氯丁烷
  • F:19
  • 外观性质:无色液体,为异构体的混合物,有催泪性。
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 遇热分解有毒氯化物气体
  • 灭火剂:干粉、水雾, 二氧化碳、泡沫
  • 检测方法:GC
  • Sigma Aldrich:591-97-9(sigmaaldrich)
  • TCI Shanghai:1-氯-2-丁烯(顺反异构体混合物,含约25%的3-氯-1-丁烯) Crotyl Chloride (cis- and trans- mixture, contains ca. 25% 3-Chloro-1-butene),>;70.0%(GC)(591-97-9)
  • Acros Organics:1-氯-2-丁烯 Crotyl chloride, tech., 70%(591-97-9)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放; 不宜久储, 以防聚合
  • 图谱信息:1-氯-2-丁烯(591-97-9)质谱(MS) 1-氯-2-丁烯(591-97-9)红外图谱(IR1)
  • 用途一:有机合成。
  • MSDS 信息:1-氯-2-丁烯(591-97-9).msds
  • 方法一:由1,1-二氯丁烷与丁醇、氢氧化钾溶液共热而得顺式和反式的混合物。
  • 爆炸物危险特性:与空气混合可爆
  • 类别:易燃液体
  • 1-氯-2-丁烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1686 巴豆氯(顺反异构体混和物,含约25%的3-氯-1-丁烯) Crotyl Chloride (cis- and trans- mixture, contains ca. 25% 3-Chloro-1-butene) 500ML 1940元 2014/06/02 C1686 巴豆氯(顺反异构体混和物,含约25%的3-氯-1-丁烯) Crotyl Chloride (cis- and trans- mixture, contains ca. 25% 3-Chloro-1-butene) 25ML 334元 2014/06/02 C0145 巴豆绿(顺反异构体混和物) Crotyl Chloride (cis- and trans- mixture) 25ML 546元
  • MOL 文件:591-97-9.mol

系列性分类


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