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5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione structure

CAS No:
26028-65-9
Formula:
C8H6ClN3S
Chemical Name:
5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
Synonyms:
3H-1,2,4-Triazole-3-thione,5-(4-chlorophenyl)-1,2-dihydro-;s-Triazole-3-thiol,5-(p-chlorophenyl)-;5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione;5-(p-Chlorophenyl)-1,2,4-triazole-3-thiol;3-(4-Chlorophenyl)-1,2,4-triazole-5-thiol

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Description

5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is a member of triazoles.

5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

211.67134

Exact Mass：

211.67

DSSTox ID：

DTXSID40180673

HScode：

2933990090

Characteristics

PSA：

68.5

XLogP3：

2.41380

Density：

1.55g/cm3

Melting Point：

298 °C

Boiling Point：

296.8ºC at 760mmHg

Flash Point：

133.3ºC

Refractive Index：

1.746

Water Solubility：

16 [ug/mL]

Vapor Pressure：

0.0014mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Computed Properties

Molecular Weight:211.67
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:210.9970961
Monoisotopic Mass:210.9970961
Topological Polar Surface Area:68.5
Heavy Atom Count:13
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

5-(4-Chlorophenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione

SDS

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