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2,3-DIMETHYLPHENYLISOTHIOCYANATE

2,3-DIMETHYLPHENYLISOTHIOCYANATE structure

CAS No:
1539-20-4
Formula:
C9H9NS
Chemical Name:
2,3-DIMETHYLPHENYLISOTHIOCYANATE
Synonyms:
AKOSB016334;AKOSBBS-00004435;ART-CHEM-BBB016334;2,3-Dimethylisothiocyanatobenzene;2,3-DIMETHYLPHENYLISOTHIOCYANATE;1-ISOTHIOCYANATO-2,3-DIMETHYLBENZENE

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2,3-DIMETHYLPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

163.238

Exact Mass：

163.04600

DSSTox ID：

DTXSID50165476

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.03770

Density：

1.01 g/cm3

Boiling Point：

128 °C

Flash Point：

125.8ºC

Refractive Index：

1.554

Vapor Pressure：

0.00655mmHg at 25°C

Safety Information

hazard class code：

safety instructions：

Marks：

Xi: Irritant;C: Corrosive;

Precautionary statement(s)：

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

Hazard Statements：

H315

Computed Properties

Molecular Weight:163.24
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3-DIMETHYLPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,3-DIMETHYLPHENYLISOTHIOCYANATE

SDS

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