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1-(BENZYLSULFANYL)-2-NITROBENZENE

1-(BENZYLSULFANYL)-2-NITROBENZENE structure

CAS No:
22057-44-9
Formula:
C13H11NO2S
Chemical Name:
1-(BENZYLSULFANYL)-2-NITROBENZENE
Synonyms:
1-(Benzylsulfanyl)-2-nitrobenzene;Benzyl(2-nitrophenyl)sulfane;NSC642588;Benzyl 2-nitrophenyl thioether;1-benzylsulfanyl-2-nitrobenzene;2-Nitrophenylbenzyl sulfide;SCHEMBL5376331;CTK4E8429;KS-00001ZXW;1-benzylsulfanyl-2-nitro-benzene

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1-(BENZYLSULFANYL)-2-NITROBENZENE Basic Attributes

Molecular Weight：

245.3

Exact Mass：

245.05100

NSC Number：

642588

DSSTox ID：

DTXSID10327290

HScode：

2930909090

Characteristics

PSA：

71.1

XLogP3：

4.41030

Density：

1.27g/cm3

Melting Point：

80-81°

Boiling Point：

380.2ºC at 760 mmHg

Flash Point：

183.7ºC

Refractive Index：

1.648

Vapor Pressure：

1.22E-05mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:245.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.05104977
Monoisotopic Mass:245.05104977
Topological Polar Surface Area:71.1
Heavy Atom Count:17
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(BENZYLSULFANYL)-2-NITROBENZENE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(BENZYLSULFANYL)-2-NITROBENZENE

SDS

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