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化合物简介
Butyryl chloride (also known as n-Butyryl chloride, butanoyl chloride, or C-4 Acyl halide) is an organic compound with the chemical formula C4H7ClO. Butyryl chloride is liquid at room temperature, has a colorless to light yellowish appearance and has an extremely strong pungent odor. Butyryl chloride is soluble in almost all aprotic organic solvents, but it decomposes violently by heating and spontaneously decomposes when exposed to moist air or water to form pure hydrochloric acid gas. It also reacts violently when mixed with strong oxidants, metals (especially iron), alkali metals, alkali earth metals, bases and wide range of organic substances such as amines, dimethyl sulfoxide, and alcohols. These reactions tend to result in explosions and fire; hence extreme caution must be taken when mixing with other substances. Butyryl Chloride belongs in the group of acyl halides which are involved in acylation process that introduce an acyl group (RCO-) into compounds.
基本信息
CAS:141-75-3
中文别名:氯化丁酰;正丁酰氯;氯化正丁酰;
英文别名:butyric acid chloride;Butyrylchlorid;BUTYROYL CHLORIDE;N-Butyryl;butanoic acid chloride;Butyrylchloride;butyryl;butyricchloride;BUTANOYL CHLORIDE;n-butyric acid chloride;Butyryl Chloride;Butanoyl chloride;N-BUTYLVINYLETHER;n-butyryl chloride;n-butanoyl chloride;n-butyroyl chloride;
分子式:C4H7ClO
分子量:106.551
精确质量:106.019
Psa:17.07
Logp:1.5519
中文别名:氯化丁酰;正丁酰氯;氯化正丁酰;
英文别名:butyric acid chloride;Butyrylchlorid;BUTYROYL CHLORIDE;N-Butyryl;butanoic acid chloride;Butyrylchloride;butyryl;butyricchloride;BUTANOYL CHLORIDE;n-butyric acid chloride;Butyryl Chloride;Butanoyl chloride;N-BUTYLVINYLETHER;n-butyryl chloride;n-butanoyl chloride;n-butyroyl chloride;
分子式:C4H7ClO
分子量:106.551
精确质量:106.019
Psa:17.07
Logp:1.5519
编号系统
MDL号:MFCD00000752
EINECS号:205-498-5
BRN号:605395
EINECS号:205-498-5
BRN号:605395
物化性质
外观与性状:透明无色液体带有一种强烈的气味
密度:1.026g/mLat 25°C(lit.)
沸点:102°C(lit.)
熔点:−89°C(lit.)
凝固点:-89℃
闪点:71°F
折射率:n20/D 1.412(lit.)
水溶解性:decomposes
储存条件:Flammables area
蒸汽密度:3.7 (vs air)
蒸汽压:32.9mmHg at 25°C
密度:1.026g/mLat 25°C(lit.)
沸点:102°C(lit.)
熔点:−89°C(lit.)
凝固点:-89℃
闪点:71°F
折射率:n20/D 1.412(lit.)
水溶解性:decomposes
储存条件:Flammables area
蒸汽密度:3.7 (vs air)
蒸汽压:32.9mmHg at 25°C
安全信息
安全说明:S16-S23-S26-S36-S45
危险类别码:R11; R34
WGK Germany:1
海关编码:2915900090
危险品运输编码:UN 2353 3/PG 2
危险类别:3
包装等级:II
危险品标志:C
危险类别码:R11; R34
WGK Germany:1
海关编码:2915900090
危险品运输编码:UN 2353 3/PG 2
危险类别:3
包装等级:II
危险品标志:C
生产方法及用途
生产方法
1.由丁酸与氯化亚砜反应而得。将氯化亚砜加热至回流,滴加丁酸,在4h左右加完,再回流1h,蒸馏,收集95-115℃馏分,再重新蒸馏1次,收集101-105℃馏分即得成品,收率70%以上。在反应中也可以配入三氯化磷,收率75%。工业品纯度为≥99%。原料消耗定额:丁酸890kg/t、氯化亚砜 600kg/t。 可用于医药、农药、阻燃剂、净水剂等,也用于有机合成,定制丁苯和药物利尿酸、强痛定及中间体2-乙基-1,3-环戊二酮,同时也可用于除草剂。
用途
可用于医药、农药、阻燃剂、净水剂等,也用于有机合成,定制丁苯和药物利尿酸、强痛定及中间体2-乙基-1,3-环戊二酮,同时也可用于除草剂。
1.由丁酸与氯化亚砜反应而得。将氯化亚砜加热至回流,滴加丁酸,在4h左右加完,再回流1h,蒸馏,收集95-115℃馏分,再重新蒸馏1次,收集101-105℃馏分即得成品,收率70%以上。在反应中也可以配入三氯化磷,收率75%。工业品纯度为≥99%。原料消耗定额:丁酸890kg/t、氯化亚砜 600kg/t。 可用于医药、农药、阻燃剂、净水剂等,也用于有机合成,定制丁苯和药物利尿酸、强痛定及中间体2-乙基-1,3-环戊二酮,同时也可用于除草剂。
用途
可用于医药、农药、阻燃剂、净水剂等,也用于有机合成,定制丁苯和药物利尿酸、强痛定及中间体2-乙基-1,3-环戊二酮,同时也可用于除草剂。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)
