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4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene structure

CAS No:
21714-25-0
Formula:
C11H13NO2S
Chemical Name:
4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene
Synonyms:
2-(3,4-Dimethoxyphenyl)ethyl isothiocyanate; 3,4-Dimethoxyphenethyl isothiocyanate;

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4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene Basic Attributes

Molecular Weight：

223.29100

Exact Mass：

223.06669983 g/mol

DSSTox ID：

DTXSID30176106

HScode：

2930909090

Characteristics

PSA：

62.91000

XLogP3：

2.34910

Density：

1.17

Boiling Point：

349.1ºC at 760mmHg

Flash Point：

164.9ºC

Refractive Index：

1.588

Vapor Pressure：

9.7E-05mmHg 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:223.29
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:223.06669983
Monoisotopic Mass:223.06669983
Topological Polar Surface Area:62.9
Heavy Atom Count:15
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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