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3-CHLOROPROPYLISOTHIOCYANATE

3-CHLOROPROPYLISOTHIOCYANATE structure

CAS No:
2799-72-6
Formula:
C4H6ClNS
Chemical Name:
3-CHLOROPROPYLISOTHIOCYANATE
Synonyms:
3-Chloropropyl isothiocyanate;1-Chloro-3-isothiocyanatopropane;3-Chloropropylisothiocyanate;Propane,1-chloro-3-isothiocyanato-;3-chloroisothiocyanatopropane;SCHEMBL3044129;CTK4G0603;DTXSID50182269;1-Chloro-3-isothiocyanatopropane #;ZINC2390117

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3-CHLOROPROPYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

135.61500

Exact Mass：

134.99100

DSSTox ID：

DTXSID50182269

Characteristics

PSA：

44.45000

XLogP3：

1.71810

Appearance：

clear yellow liquid

Density：

1.13 g/cm3

Boiling Point：

213.9ºC at 760 mmHg

Flash Point：

83.2ºC

Refractive Index：

1.515

Vapor Pressure：

0.234mmHg at 25°C

Safety Information

Transport codes：

UN 2810

hazard class code：

R20/21/22

safety instructions：

S26

Marks：

Xi,C

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:135.62
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:134.9909481
Monoisotopic Mass:134.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:7
Complexity:77.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: bromocyclohexane; interspinous ligament; peg 40; cl2o7 compound name; pyrazole; sec butanol

Guide of 3-CHLOROPROPYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-CHLOROPROPYLISOTHIOCYANATE

SDS

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