1-苯基-5-巯基四氮唑

1-Phenyl-5-mercaptotetrazole

HCID 690730CAS 86-93-1
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基本信息

标准SMILES
S=c1nn[nH]n1-c1ccccc1
InChIKey
GGZHVNZHFYCSEV-UHFFFAOYSA-N
分子式
C7H6N4S
平均分子量
178.22 g/mol
单同位素质量
178.03131719

概述

1-Phenyl-5-mercaptotetrazole is a member of tetrazoles.

名称与标识

首选名称
1-Phenyl-5-mercaptotetrazole
IUPAC
1-phenyl-2H-tetrazole-5-thione
中文名
1-苯基-5-巯基四氮唑
英文名
1-Phenyltetrazole-5-thiol
分子式
C7H6N4S
分子量
178.21

名称与别名

86-93-11-Phenyltetrazole-5-thiol1-Phenyl-5-mercaptotetrazoleMercaptophenyltetrazolePhenylmercaptotetrazole1-Phenyltetrazole-thiol1H-Tetrazole-5-thiol, 1-phenyl-2-Tetrazoline-5-thione, 1-phenyl-5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-1PI3BD9U68DTXSID1052589RefChem:435658
展开更多名称
巯基苯氮唑苯基-硫醇-四唑头孢哌酮杂质531-苯基-5-硫基四唑1-苯基-5-巯基四唑1-苯基-5-巯基四氮5-疏基-1-苯基-四氮5-巯基-1-苯基四氮唑1-苯基-5-巯基四氮唑1-苯基四氮唑-5-硫醇PMT1-PHENYL-5-MERCAPTO-1,2,3,4-TETRAZOLE1-PHENYL-5-MERCAPTO-1H-TETRAZOLE1H-Phenyltetrazole-5-thiol1-Phenyl-1H-tetrazol-5-thiolPhenyl-5-Mercapto-1H-Tetrazole
DTXCID2031162201-710-51-Phenyl-1H-tetrazole-5-thiol5-Mercapto-1-phenyltetrazole1-Phenyltetrazoline-5-thione1-phenyl-2H-tetrazole-5-thione5-Mercapto-1-phenyl-1H-tetrazole1-Phenyl-5-tetrazolethione

数据库标识

CAS
86-93-1
PubChem CID
690730
DTXSID
DTXSID1052589
ChEMBL
CHEMBL226652
ChEBI
CHEBI:79916
UNII
1PI3BD9U68
EC Number
201-710-5
Nikkaji
J39.092E

性质

结构计算性质

XLogP
2.8
极性表面积
72.1 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
12

实验与物化性质

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

物理化学性质

熔点
145 °C · 145 °C (dec.)(lit.)
沸点
342 °C · 342°C (rough estimate)
密度
1.3046 · 1.3046 (rough estimate)
折射率
1.55 · 1.5500 (estimate)
闪点
138 °C · 138°C
储存条件
15 °C · Store at +15°C to +25°C.

化学性质

白色结晶。熔点为150℃（分解）。溶于乙醇、氯仿、四氯化碳。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.

Danger

H228 (96.4%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 3 条

Chemical: 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-

REACH registered substance: 1-phenyltetrazole-5-thiol (EC: 201-710-5)

5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Amino-5-mercapto-1,2,4-triazole.
Hazard Classes and CategoriesFlam. Sol. 1 (96.4%)

安全数据

F
4.10
wgk
1
tsca
TSCA listed
RTECS号
XF7700000
hazard_note
Flammable
包装类别
III

化学与工业

用途与制造

General Manufacturing Information5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-: ACTIVE

应用领域

用途1-苯基-5-巯基四氮唑为照相防灰剂，也用作试剂及驱虫药的中间体。

制备方法

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。

上下游产品信息

试剂价格

A12656 · 500g
1-苯基-1H-四唑-5-硫醇, 99%1-Phenyl-1H-tetrazole-5-thiol, 99% — 5526元
P0640 · 5G
5-巯基-1-苯基-1H-四唑5-Mercapto-1-phenyl-1H-tetrazole — 50元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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