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  • 5-疏基-1-苯基-四氮唑

    1-Phenyltetrazole-5-thiol

化合物简介

1-Phenyl-1H-tetrazole-5-thiol is used as a corrosion inhibitor and as a reagent in the synthesis of Microcarpalide, a microfilament disrupting agent that is weakly cytotoxic to mammalian cells.

基本信息

CAS:86-93-1
中文别名:1-苯基-5-巯基–1H-四氮唑;5-巯基-1-苯基-1H-四唑;1-苯基-5-巯基-1H-1,2,3,4-四氮唑;1-苯基-5-巯基四氮唑;1-苯基-5-巯基四氮唑(PMT);1-苯基-5-硫醇基四氮唑;1-苯基四氮唑-5-硫醇;1-苯基-1H-四唑-5-硫醇;
英文别名:1-Phenyltetrazol-5-thiol;5-mercapto-1-phenyltetrazole;1-phenyl-5-mercapto-1H-tetrazole;5-mercapto-1-phenyl-1,2,3,4-tetrazole;1-phenyl-1H-tetrazole-5-thiol;Phenylmercaptotetrazole;Phenyltetrazolethiol;Mercaptophenyltetrazole;1-phenyl-5-mercaptotetrazole;1-Phenyltetrazole-5;PMT;1-phenyl-5-sulfanyltetrazole;1-Phenyl-5-mercapto;5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-;1-Phenyltetrazolethiol;
分子式:C7H6N4S
分子量:178.214
精确质量:178.031
Psa:82.4
Logp:0.951

编号系统

MDL号:MFCD00003129
EINECS号:201-710-5

物化性质

外观与性状:白色固体
密度:1.46g/cm3
沸点:340.2ºC at 760 mmHg
熔点:145°C (dec.)(lit.)
闪点:138°C
折射率:1.76
稳定性:Unstable.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

安全信息

RTECS号:XF7700000
安全说明:S22-S24/25
危险类别码:R5; R22
WGK Germany:1
海关编码:29339990
危险品运输编码:UN 1325 4.1/PG 2
危险类别:4.1
包装等级:III
危险品标志:Xn

生产方法及用途

生产方法
由异硫氰酸苯酯与叠氮化钠反应而得。将150ml水、67.5g异硫氰酸苯酯和9.8g叠氮化钠搅拌混合,回流反应至澄清为止,约需5-6h。经冷却,过滤得1-苯基四氮唑-5-硫醇钠盐(1-Phenyl-1H-tetrazole-5-thiol sodium salt [15052-19-4])将钠盐(滤液)用盐酸酸化至pH值为2,析出白色固体。滤出结晶,用水洗涤,烘干得粗品;用稀乙醇重结晶,得成品,收率在90%以上。 该品为照相防灰剂,也用作试剂及驱虫药的中间体。
用途
该品为照相防灰剂,也用作试剂及驱虫药的中间体。

合成路线

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图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


Mass spectrum (electron ionization)


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