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3-Chlorophenyl isothiocyanate

3-Chlorophenyl isothiocyanate structure

CAS No:
2392-68-9
Formula:
C7H4ClNS
Chemical Name:
3-Chlorophenyl isothiocyanate
Synonyms:
Benzene,1-chloro-3-isothiocyanato-;Isothiocyanic acid,m-chlorophenyl ester;1-Chloro-3-isothiocyanatobenzene;m-Chlorophenyl isothiocyanate;3-Chlorophenyl isothiocyanate;NSC 132371;1619287-31-8
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

3-Chlorophenyl isothiocyanate Basic Attributes

Molecular Weight：

169.63

Exact Mass：

169.63

BRN：

636856

EC Number：

-0

NSC Number：

132371

DSSTox ID：

DTXSID20178634

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.07430

Appearance：

clear yellow liquid

Density：

1.115 g/cm³

Boiling Point：

249.5 °C

Flash Point：

>110°C

Refractive Index：

1.658-1.66

Water Solubility：

33.93mg/L(25 ºC)

Vapor Pressure：

0.0361mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2810

wgk germany：

hazard class code：

42-36/37/38-23/24/25-20/21/22

safety instructions：

45-36/37/39-26-37/39

RTECS Number：

NX8474500

Marks：

T,Xn

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:169.63
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.9752980
Monoisotopic Mass:168.9752980
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-CHLOROPHENYL ISOTHIOCYANATE

CAS No.: 2392-68-9

Content: 99.00%

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Guide of 3-Chlorophenyl isothiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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3-Chlorophenyl isothiocyanate

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