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化合物简介
3-Hydroxybenzonitrile, is an intermediate that can be used for the synthesis of new Serotonin 5-HT1A receptor agonists having Antinociceptive Activity in Vivo.
基本信息
CAS:873-62-1
中文别名:间氰基酚;3-羟基苯腈;间羟基苯腈;3-羟基苯甲腈;间氰基苯酚;
英文别名:3-Cyanophenol;m-hydroxybenzylnitrile;Benzonitrile,m-hydroxy;3-hydroxy benzonitrile;m-cyanophenol;Benzonitrile, 3-hydroxy-;Benzonitrile,3-hydroxy;m-Hydroxybenzonitrile;meta-cyanophenol;
分子式:C7H5NO
分子量:119.121
精确质量:119.037
Psa:44.02
Logp:1.26388
中文别名:间氰基酚;3-羟基苯腈;间羟基苯腈;3-羟基苯甲腈;间氰基苯酚;
英文别名:3-Cyanophenol;m-hydroxybenzylnitrile;Benzonitrile,m-hydroxy;3-hydroxy benzonitrile;m-cyanophenol;Benzonitrile, 3-hydroxy-;Benzonitrile,3-hydroxy;m-Hydroxybenzonitrile;meta-cyanophenol;
分子式:C7H5NO
分子量:119.121
精确质量:119.037
Psa:44.02
Logp:1.26388
编号系统
MDL号:MFCD00002252
物化性质
外观与性状:略棕色
密度:1.22 g/cm3
沸点:254.3ºC at 760 mmHg
熔点:78-81°C(lit.)
闪点:107.6ºC
折射率:1.59
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.22 g/cm3
沸点:254.3ºC at 760 mmHg
熔点:78-81°C(lit.)
闪点:107.6ºC
折射率:1.59
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
安全信息
安全说明:S26-S36-S45
危险类别码:R20/21/22
WGK Germany:2
海关编码:2926909090
危险品运输编码:3276
危险类别:6.1
包装等级:III
危险品标志:Xn
危险类别码:R20/21/22
WGK Germany:2
海关编码:2926909090
危险品运输编码:3276
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
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上游原料
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : KBr disc

IR : nujol mull
