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Benzene, 1-chloro-3-isothiocyanato-2-methyl-

Benzene, 1-chloro-3-isothiocyanato-2-methyl- structure

CAS No:
19241-35-1
Formula:
C8H6ClNS
Chemical Name:
Benzene, 1-chloro-3-isothiocyanato-2-methyl-
Synonyms:
Benzene,1-chloro-3-isothiocyanato-2-methyl-;Isothiocyanic acid,3-chloro-o-tolyl ester;Toluene,2-chloro-6-isothiocyanato-;3-Chloro-o-tolyl isothiocyanate;3-Chloro-2-methylphenyl isothiocyanate;NSC 134676;1-Chloro-3-isothiocyanato-2-methylbenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

Colorless to light yellow liquid

Benzene, 1-chloro-3-isothiocyanato-2-methyl- Basic Attributes

Molecular Weight：

183.66

Exact Mass：

183.66

NSC Number：

134676

DSSTox ID：

DTXSID40172831

HScode：

29349990

Characteristics

PSA：

44.4

XLogP3：

3.38270

Appearance：

pale yellow liquid.

Density：

1.18 g/cm3

Boiling Point：

99 °C @ Press: 2-3 Torr

Flash Point：

129.6ºC

Refractive Index：

1.583

Vapor Pressure：

0.00356mmHg at 25°C

Safety Information

Transport codes：

2810

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

RTECS Number：

JR2450000

Marks：

Xn: Harmful;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, 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.

Computed Properties

Molecular Weight:183.66
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

3-Chloro-2-methylaniline

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Guide of Benzene, 1-chloro-3-isothiocyanato-2-methyl-

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Latest News
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Benzene, 1-chloro-3-isothiocyanato-2-methyl-

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