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化合物简介
p-Toluoyl chloride is an aromatic compound used as a reagent to synthesize (+)-Yashabushitriol, a plant metabolite that is naturally found in the male flowers of Alnus sieboldiana matsum. p-Toluoyl chloride is also used as a reagent to prepare derivatives of Desloratadine. Desloratadine is a selective H1-receptor antagonist that has anti-inflammatory effects and is used to treat patients with allergic rhinitis.
基本信息
CAS:874-60-2
中文别名:4-甲苯甲酰氯;对甲苯酰氯;4-甲基苯甲酰氯;
英文别名:EINECS 212-864-8;p-Methylbenzoyl chloride;p-TOLUOYL CHLORIDE;4-Toluoyl chloride;4-methylbenzoic chloride;Benzoyl chloride,4-methyl;p-Toluyl chloride;4-Methylbenzoic acid chloride;4-methyl-benzoyl chloride;Benzoyl chloride, 4-methyl-;p-Toluic acid chloride;
分子式:C8H7ClO
分子量:154.594
精确质量:154.019
Psa:17.07
Logp:2.374
中文别名:4-甲苯甲酰氯;对甲苯酰氯;4-甲基苯甲酰氯;
英文别名:EINECS 212-864-8;p-Methylbenzoyl chloride;p-TOLUOYL CHLORIDE;4-Toluoyl chloride;4-methylbenzoic chloride;Benzoyl chloride,4-methyl;p-Toluyl chloride;4-Methylbenzoic acid chloride;4-methyl-benzoyl chloride;Benzoyl chloride, 4-methyl-;p-Toluic acid chloride;
分子式:C8H7ClO
分子量:154.594
精确质量:154.019
Psa:17.07
Logp:2.374
编号系统
MDL号:MFCD00000696
物化性质
外观与性状:透明液体
密度:1.169g/mLat 25°C(lit.)
沸点:225-227°C(lit.)
熔点:−4-−2°C(lit.)
闪点:180°F
折射率:n20/D 1.553(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽密度:5.33 (vs air)
蒸汽压:0.55 mm Hg ( 20 °C)
密度:1.169g/mLat 25°C(lit.)
沸点:225-227°C(lit.)
熔点:−4-−2°C(lit.)
闪点:180°F
折射率:n20/D 1.553(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽密度:5.33 (vs air)
蒸汽压:0.55 mm Hg ( 20 °C)
安全信息
RTECS号:XV1660000
安全说明:S26-S36/37/39-S45-S24/25
危险类别码:R34
WGK Germany:3
危险品运输编码:UN 3265 8/PG 2
海关编码:2916399090
危险类别:8
包装等级:II
危险品标志:C
安全说明:S26-S36/37/39-S45-S24/25
危险类别码:R34
WGK Germany:3
危险品运输编码:UN 3265 8/PG 2
海关编码:2916399090
危险类别:8
包装等级:II
危险品标志:C
生产方法及用途
用途
用于医药、农药、感光材料及染料中间体等医药、农药、染料中间体。
用于医药、农药、感光材料及染料中间体等医药、农药、染料中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : parameter in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
