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4-Chloro-1-isothiocyanato-2-methylbenzene

4-Chloro-1-isothiocyanato-2-methylbenzene structure

CAS No:
23165-53-9
Formula:
C8H6ClNS
Chemical Name:
4-Chloro-1-isothiocyanato-2-methylbenzene
Synonyms:
Benzene,4-chloro-1-isothiocyanato-2-methyl-;Isothiocyanic acid,4-chloro-o-tolyl ester;4-Chloro-1-isothiocyanato-2-methylbenzene;4-Chloro-2-methylphenyl isothiocyanate;4-Chloro-o-tolyl isothiocyanate;2-Methyl-4-chlorophenyl isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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4-Chloro-1-isothiocyanato-2-methylbenzene Basic Attributes

Molecular Weight：

183.66

Exact Mass：

183.66

BRN：

2963683

EC Number：

245-472-0

DSSTox ID：

DTXSID60177747

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.38270

Density：

1.18g/cm3

Melting Point：

33-35°C

Boiling Point：

136 °C @ Press: 13 Torr

Flash Point：

88-90°C/0.4mm

Refractive Index：

1.583

Vapor Pressure：

0.00855mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2811

hazard class code：

23/24/25

safety instructions：

23-26-36/37/39-45

Marks：

Xn:Harmful;

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:183.66
XLogP3:4.6
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

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Guide of 4-Chloro-1-isothiocyanato-2-methylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-Chloro-1-isothiocyanato-2-methylbenzene

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