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1,3-diethyl-2-isothiocyanatobenzene

1,3-diethyl-2-isothiocyanatobenzene structure

CAS No:
25343-69-5
Formula:
C11H13NS
Chemical Name:
1,3-diethyl-2-isothiocyanatobenzene
Synonyms:
2,6-Diethylphenyl isothiocyanate; 2,5-DICHLOROPHENOL-3,4,6-D3; 2,6-diethylbenzenisothiocyanate;

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1,3-diethyl-2-isothiocyanatobenzene Basic Attributes

Molecular Weight：

191.29300

Exact Mass：

191.07687059 g/mol

DSSTox ID：

DTXSID30179990

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.54570

Appearance：

Colorless to Yellow Liquid

Density：

0.99 g/cm3

Boiling Point：

302.6ºC at 760 mmHg

Flash Point：

141.5ºC

Refractive Index：

1.6005

Vapor Pressure：

0.00176mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2810

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26-S36/37/39

Computed Properties

Molecular Weight:191.29
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:191.07687059
Monoisotopic Mass:191.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-diethyl-2-isothiocyanatobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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