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化合物简介
1,4-Dichlorobut-2-ene is a chlorinated butene. It is an intermediate in the industrial production of chloroprene, and the main impurity in technical grade chloroprene. The (E)-isomer is also one of the starting materials for Birman's total synthesis of the poriferic natural product sceptrin.
基本信息
CAS:110-57-6
中文别名:反式-1,4-二氯丁烯;反式-1,4-二氯-2-丁烯;反-1,4-二氯-2-丁烯;
英文别名:trans 1,4-dichloro-2-butene;TRANS-1,4-DICHLORO-2-BUTYLENE;2,5-dichloro-toluene;2,5-Dichlor-toluol;1,4-dichloro-toluene;TRANS-1,4-DICHLOROBUT-2-ENE;2-Butene, 1,4-dichloro-, (E)-;Toluene,2,5-dichloro;Toluene,5-dichloro;1,4-dichloro-2-methyl-benzene;TRANS-1,4-DICHLOR-2-BUTENE;1,4-dichloro-trans-2-butene;1,4-Dichloro-2-butene;Benzene,1,4-dichloro-2-methyl;trans 1,4-Dichloro-2-butene;trans-1,4-dichlorobut-2-ene;
分子式:C4H6Cl2
分子量:124.996
精确质量:123.985
Psa:0.0
Logp:2.0202
中文别名:反式-1,4-二氯丁烯;反式-1,4-二氯-2-丁烯;反-1,4-二氯-2-丁烯;
英文别名:trans 1,4-dichloro-2-butene;TRANS-1,4-DICHLORO-2-BUTYLENE;2,5-dichloro-toluene;2,5-Dichlor-toluol;1,4-dichloro-toluene;TRANS-1,4-DICHLOROBUT-2-ENE;2-Butene, 1,4-dichloro-, (E)-;Toluene,2,5-dichloro;Toluene,5-dichloro;1,4-dichloro-2-methyl-benzene;TRANS-1,4-DICHLOR-2-BUTENE;1,4-dichloro-trans-2-butene;1,4-Dichloro-2-butene;Benzene,1,4-dichloro-2-methyl;trans 1,4-Dichloro-2-butene;trans-1,4-dichlorobut-2-ene;
分子式:C4H6Cl2
分子量:124.996
精确质量:123.985
Psa:0.0
Logp:2.0202
编号系统
BRN号:1719693
PubChem号:24859448
MDL号:MFCD00000988
RTECS号:EM4903000
EINECS号:203-779-7
PubChem号:24859448
MDL号:MFCD00000988
RTECS号:EM4903000
EINECS号:203-779-7
物化性质
外观与性状:无色液体带有一种独特的气味
密度:1.183 g/mL at 25ºC(lit.)
沸点:74-76ºC40 mm Hg(lit.)
熔点:1-3ºC(lit.)
闪点:129 °F
折射率:n20/D 1.488(lit.)
稳定性:Reacts slowly with water to form hydrochloric acid.
储存条件:库房通风低温干燥,与食品原料分开存放
蒸汽压:5.85mmHg at 25°C
密度:1.183 g/mL at 25ºC(lit.)
沸点:74-76ºC40 mm Hg(lit.)
熔点:1-3ºC(lit.)
闪点:129 °F
折射率:n20/D 1.488(lit.)
稳定性:Reacts slowly with water to form hydrochloric acid.
储存条件:库房通风低温干燥,与食品原料分开存放
蒸汽压:5.85mmHg at 25°C
安全信息
安全说明:53-23-26-36/37/39-45-36/37-99-61-60
危险类别码:R10
海关编码:2903299090
危险品运输编码:UN 3390 6.1/PG 1
危险类别:6.1(a)
包装等级:II
危险品标志:T+; F; N
危险类别码:R10
海关编码:2903299090
危险品运输编码:UN 3390 6.1/PG 1
危险类别:6.1(a)
包装等级:II
危险品标志:T+; F; N
生产方法及用途
用途
有机合成中间体。
有机合成中间体。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : parameter neat

13C NMR : DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Mass

Mass

Raman : 4880 A,100M,powder

IR : liquid film

IR : KBr disc

IR : nujol mull

SOLUTION (10% CCl4 FOR 2.5-7.5, 10% CS2 FOR 7.5-16 MICRON)

gas
