Chloroprene 2-氯-1,3-丁二烯

CAS 126-99-8 MFCD00014928

化学结构图

126-99-8
SMILES: C=CC(=C)Cl

化学属性

Mol. FormulaC4H5Cl
Mol. Weight88.54
Flash Point11 °C
Solubility微溶于水，溶于乙醇、乙醚等多数有机溶剂。
Density0,958 g/cm3

别名和识别编码

Chemical NameChloroprene
Synonym 1,3-Butadiene, 2-chloro- 1,3-Chloro-2-butadiene 1,3-butadiene, 2-chloro- 2-CHLORO-1,3-BUTADIENE 2-Chloor-1,3-butadieen 2-Chlor-1,3-butadien 2-Chloro-1,3-butadiene 2-Chlorobuta-1,3-diene 2-Chlorobutadiene 2-Chlorobutadiene 1,3 2-Chloroprene 2-Cloro-1,3-butadiene 2-chloro-1,3-butadiene 2-chloro-1,3-butadiene(chloroprene) 2-chloro-1,3-butadiene(chloroprene)(50%inxylene) 2-chloro-3-butadiene 2-chloro-buta-1,3-diene 2-chlorobuta-1,3-diene 2-chlorobutadiene-1,3 2-氯-1，3-丁二烯 2-氯丁二烯 3-Butadiene,2-chloro-1 B-CHLOROPRENE Baypren 110 CHLOROPRENE Ch Chlorobutadiene Chloropreen
CAS Number126-99-8
MDL NumberMFCD00014928
Chemical Name Translation2-氯-1,3-丁二烯
EC Number204-818-0
Wiswesser Line Notation1UYG1U1
LabNetwork Molecule IDLN03263661
PubChem Substance ID31369
InChIInChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
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分类

  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
  • 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

安全信息

Packing GroupI
Hazard Codes F,T
Hazard Class3.1
Storage condition 2-8°C
UN Number 1993
Safety Statements
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
Risk Statements
  • R10 Flammable 易燃
  • R11 Highly flammable 非常易燃
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R45 May cause cancer 可能致癌
  • R48/20
  • R36 Irritating to eyes 刺激眼睛
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Warnings 危化品目录(2015) 危险化学品
RTECSEI9625000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Pro

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 146 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,38,1982

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Bird - pigeon
DOSE/DURATION           : 13 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 18,240,1936

{hazard_com

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3870 mg/m3/8H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 18,240,1936

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE O

{hazard_c

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1960 ug/m3/16W
REFERENCE :
   BZARAZ Biologicheskii Zhurnal Armenii.  Biological Journal of Armenia. (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.19-    1966-
   Volume(issue)/page/year: 27(6),102,1974

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 125 mg/L
REFERENCE :
   AETODY Advances in Modern Environmental Toxicology.  (Senate Press, Inc.,
   P.O. Box 252, Princeton Junction, NJ 08550)  V.1-    1980-
   Volume(issue)/page/year: 1,241,1980

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 4 ug/L/48D (Intermittent)
REFERENCE :
   TNICS* Toxicology of New Industrial Chemical Substances.  English
   translation of TPKVAL.  (USSR Academy of Medical Sciences, Meditsina,
   Moscow, USSR)  Volume(issue)/page/year: 13,56,1973

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Unreported
TEST SYSTEM             : Human
DOSE/DURATION           : 1 mg/m3
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 147,301,1985

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5700 umol/L/3D (Intermittent)
REFERENCE :
   35WYAM "In Vitro Metabolic Activation in Mutagenic Testing, Proceedings of
   the Symposium, Research Triangle Park, NC, 1976," De Serres, F.J., et al.,
   eds., New York, Elsevier Science Pub. Co., Inc., 1976
   Volume(issue)/page/year: -,63,1976

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 mg/kg
SE

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 150 ug/m3/24H
SEX/DURATION            : male 19 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 17,85,1976

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/m3/5H
SEX/DURATION            : female 30 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   BEBMAE Byulleten' Eksperimental'noi Biologii i Meditsiny.  Bulletin of
   Experimental Biology and Medicine.  For English translation, see BEXBAN.
   (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 60(7),107,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 9100 ug/kg
SEX/DURATION            : male 26 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 45(2),17,1980

TYPE OF TEST

Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H350 May cause cancer 可能致癌
  • H371 May cause damage to organs 可能导致器官损伤
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P312
  • P301+P316
  • P301+P317
  • P302+P350
  • P302+P352
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P307+P311
  • P308+P313
  • P308+P316
  • P309+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P316
  • P317
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。

其他信息

  • MSDS 信息:2-氯-1,3-丁二烯(126-99-8).msds
  • 毒性分级:高毒
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 遇热分解有毒氯化氢气体
  • MOL 文件:126-99-8.mol
  • Sigma Aldrich:126-99-8(sigmaaldrich)
  • 职业标准:TWA 35 毫克/ 立方米; STEL 3.6 毫克/ 立方米
  • 急性毒性:口服- 大鼠 LD50: 450 毫克/ 公斤; 口服- 小鼠 LD50: 146 毫克/ 公斤
  • 类别:易燃液体
  • 用途一:制造氯丁橡胶的单体。
  • 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
  • 下游产品:四氢呋喃 --> 1,4-丁二醇 --> 氯丁橡胶 --> 1,3-二氯-2-丁烯 --> CAF皮革涂饰剂
  • 外观性质:无色液体，有辛辣气味。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 爆炸物危险特性:与空气混合可爆
  • 上游原料:氯化亚铜 --> 顺式-1,4-二氯-2-丁烯 --> 乙烯基乙炔
  • 方法一:（1）由乙炔二聚得到的乙烯基乙炔与氯化氢加成而得。生产1t氯丁二烯消耗乙烯基乙炔约750kg、氯化氢约500kg。（2）由丁二烯氯化得二氯丁烯，再脱氯化氢而得：由丁二烯氯化所得的二氯丁烯为3,4-二氯丁烯-1和1,4-二氯丁烯-2的混合物。由于制氯丁二烯需要3,4-二氯丁烯-2，故需将1,4-异构物转化为3,4-异构物。其方法是将混合物在氯化亚铜存在下，于130-145℃进行蒸馏，即可将1,4-异构物转化为沸点较低的3，4-异构物（从塔顶出来即可用于脱氯化氢制氯丁二烯）。1,4-二氯丁烯-2在85℃下用稀碱液脱氯化氢即生成2-氯丁二烯。

系列性分类

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