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1-Phenyl-5-mercaptotetrazole

1-Phenyl-5-mercaptotetrazole structure

CAS No:
86-93-1
Formula:
C7H6N4S
Chemical Name:
1-Phenyl-5-mercaptotetrazole
Synonyms:
5H-Tetrazole-5-thione,1,2-dihydro-1-phenyl-;1H-Tetrazole-5-thiol,1-phenyl-;2-Tetrazoline-5-thione,1-phenyl-;1,2,3,4-Tetrazole-5-thiol,1-phenyl-;1,2-Dihydro-1-phenyl-5H-tetrazole-5-thione;5-Mercapto-1-phenyltetrazole;1-Phenyl-5-mercapto-1,2,3,4-tetrazole;Mercaptophenyltetrazole;1-Phenyltetrazole-5-thiol;5-Mercapto-1-phenyl-1H-tetrazole;1-Phenyl-2-tetrazoline-5-thione;1-Phenyltetrazoline-5-thione;5-Mercapto-1-phenyl-1,2,3,4-tetrazole;1-Phenyl-5-tetrazolethione;1-Phenyl-1,2-tetrazoline-5-thione;1-Phenyl-1H-tetrazole-5-thiol;1-Phenyl-5-mercapto-1H-tetrazole;1-Phenyl-5-mercaptotetrazole;1-Phenyl-5-thioxo-4,5-dihydrotetrazole;1-Phenyl-1H-tetrazol-5-thiol;1-Phenyl-1H-tetrazole-5-thione;1-Phenyl-2H-tetrazole-5-thione;NSC 24018;NSC 44916;NSC 67819;(1-Phenyltetrazol-5-yl)mercaptan;1-Phenyl-4,5-dihydrotetrazole-5-thione;1-Phenyl-5-thio-1,2,3,4-tetrazole;5-Sulfanyl-1-phenyl-1H-tetrazole;1-Phenyl-1H-1,2,3,4-tetrazole-5-thiol;1-Phenyl-1H-1,2,3,4-tetraazole-5-thiol;1-Phenyl-1H-tetraazole-5-thiol;122546-70-7;1437-66-7;53741-94-9;69829-89-6
Categories:
Analytical Chemistry > Standard

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Description

white fluffy or crystalline powder or crystals

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

1-Phenyl-5-mercaptotetrazole Basic Attributes

Molecular Weight：

178.21400

Exact Mass：

178.21

EC Number：

201-710-5

UNII：

1PI3BD9U68

NSC Number：

67819|44916|24018

DSSTox ID：

DTXSID1052589

HScode：

29339990

Characteristics

PSA：

82.40000

XLogP3：

0.95100

Appearance：

White solid.

Density：

1.46g/cm3

Melting Point：

152 °C

Boiling Point：

340.2ºC at 760 mmHg

Flash Point：

138ºC

Refractive Index：

1.76

Water Solubility：

Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN 1325

wgk germany：

hazard class code：

R5; R22

safety instructions：

S22-S24/25

RTECS Number：

XF7700000

Marks：

Stability/Shelf Life：

Unstable.

Precautionary statement(s)：

P210, P240, P241, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P370+P378, P501

Hazard Statements：

H228

GHS Classification：

|Warning|H228 (96.23%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P370+P378, and P501|Aggregated GHS information provided by 54 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-phenyl-5-mercaptotetrazole

1-Phenyl-5-mercaptotetrazole Use and Manufacturing

Uses

This product is a photographic anti-ash agent and also used as an intermediate for reagents and insect repellent.

Manufacturing Info：

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

Computed Properties

Molecular Weight:178.22
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.03131738
Monoisotopic Mass:178.03131738
Topological Polar Surface Area:72.1
Heavy Atom Count:12
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzylamine

Sodium methoxide

Benzoic acid

o-Phenylenediamine

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Guide of 1-Phenyl-5-mercaptotetrazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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1-Phenyl-5-mercaptotetrazole

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