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化合物简介
(R)-(+)-α-Methylbenzyl isocyanate is used in the synthesis of non-steroidal mineralocorticoid receptor antagonists. Also used in the synthesis of antiviral and anti-HIV agents such as DPC 961.
基本信息
CAS:33375-06-3
中文别名:(R)-(+)-α-甲基苄基异氰酸酯;异氰酸(R)-(+)-α-甲基苯甲酯;(R)-(+)-1-苯基乙基;
英文别名:Benzene,(1R)-1-isocyanatoethyl;(R)-(+)-A-METHYLBENZYL ISOCYANATE;zR{-(+)-1-Phenylethyl isocyanate;(R)-1-PHENYLETHYLISOCYANATE;R-(+)-phenylethyl isocyanate;(R)-PhCH(Me)NCO;(R)-(+)-α-Methylbenzyl Isocyanate;(R)-(+)-alpha-Methylbenzyl isocyanate;Isocyanic Acid (R)-(+)-α-Methylbenzyl Ester;R-(+)-A-PHENYLETHYL ISOCYANATE;(R) METHYL BENZYLISOCYANATE;(R)-(+)-1-Phenylethyl Isocyanate;Isocyanic Acid (R)-(+)-1-Phenylethyl Ester;R-(+)-Phenethyl Isocyanate;
分子式:C9H9NO
分子量:147.174
精确质量:147.068
Psa:29.43
Logp:2.0834
中文别名:(R)-(+)-α-甲基苄基异氰酸酯;异氰酸(R)-(+)-α-甲基苯甲酯;(R)-(+)-1-苯基乙基;
英文别名:Benzene,(1R)-1-isocyanatoethyl;(R)-(+)-A-METHYLBENZYL ISOCYANATE;zR{-(+)-1-Phenylethyl isocyanate;(R)-1-PHENYLETHYLISOCYANATE;R-(+)-phenylethyl isocyanate;(R)-PhCH(Me)NCO;(R)-(+)-α-Methylbenzyl Isocyanate;(R)-(+)-alpha-Methylbenzyl isocyanate;Isocyanic Acid (R)-(+)-α-Methylbenzyl Ester;R-(+)-A-PHENYLETHYL ISOCYANATE;(R) METHYL BENZYLISOCYANATE;(R)-(+)-1-Phenylethyl Isocyanate;Isocyanic Acid (R)-(+)-1-Phenylethyl Ester;R-(+)-Phenethyl Isocyanate;
分子式:C9H9NO
分子量:147.174
精确质量:147.068
Psa:29.43
Logp:2.0834
编号系统
MDL号:MFCD00063015
物化性质
外观与性状:透明无色至淡黄色液体
密度:1.045g/mLat 20°C(lit.)
沸点:55-56°C2.5mm Hg(lit.)
闪点:150°F
折射率:n20/D 1.513(lit.)
水溶解性:分解
储存条件:2-8ºC
密度:1.045g/mLat 20°C(lit.)
沸点:55-56°C2.5mm Hg(lit.)
闪点:150°F
折射率:n20/D 1.513(lit.)
水溶解性:分解
储存条件:2-8ºC
安全信息
安全说明:S23-S26-S36-S45-S24/25
WGK Germany:3
危险类别码:R36/37/38; R42
危险品运输编码:UN 2206 6.1/PG 2
海关编码:2929109000
危险类别:6.1
包装等级:III
危险品标志:Xn
WGK Germany:3
危险类别码:R36/37/38; R42
危险品运输编码:UN 2206 6.1/PG 2
海关编码:2929109000
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
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 : 90 MHz in CDCl3

Mass

IR : liquid film
