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1-(BENZYLSULFANYL)-4-NITROBENZENE

1-(BENZYLSULFANYL)-4-NITROBENZENE structure

CAS No:
27691-43-6
Formula:
C13H11NO2S
Chemical Name:
1-(BENZYLSULFANYL)-4-NITROBENZENE
Synonyms:
1-(benzylsulfanyl)-4-nitrobenzene;Benzyl(4-nitrophenyl)sulfane;BENZYL 4-NITROPHENYL SULFIDE;1-benzylsulfanyl-4-nitrobenzene;Benzyl(4-nitrophenyl) sulfide;SCHEMBL5376333;CTK4G0096;DTXSID10363330;KS-00001ZY1;ZINC1399494

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1-(BENZYLSULFANYL)-4-NITROBENZENE Basic Attributes

Molecular Weight：

245.3

Exact Mass：

245.05100

DSSTox ID：

DTXSID10363330

HScode：

2930909090

Characteristics

PSA：

71.1

XLogP3：

4.41030

Density：

1.27g/cm3

Melting Point：

91-93°

Boiling Point：

399.8ºC at 760mmHg

Flash Point：

195.6ºC

Refractive Index：

1.648

Safety Information

Hazard category：

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:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(BENZYLSULFANYL)-4-NITROBENZENE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(BENZYLSULFANYL)-4-NITROBENZENE

SDS

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