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2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene

2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene structure

CAS No:
150812-21-8
Formula:
C13H12FN3O2
Chemical Name:
2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene
Synonyms:
2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene;N1-(4-fluorobenzyl)-2-nitrobenzene-1,4-diamine;N4-[(4-Fluorophenyl)Methyl]-2-nitro-1,4-benzenediaMine;N-(4-Fluorobenzyl)-3-nitro-p-phenylenediaMine, 98%;N4-(4-Fluoro-benzyl)-2-nitro-benzene-1,4-diaMine;N1-(4-Fluorobenzyl)-3-nitrobenzene-1,4-diaMine;1,4-BenzenediaMine,N4-[(4-fluorophenyl)Methyl]-2-nitro-;N1-(4-Fluorobenzyl)-3-nitro-1,4-phenylenediamine

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Description

Red Solid

2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene Basic Attributes

Molecular Weight：

261.255

Exact Mass：

261.091370

EC Number：

1312995-182-4

DSSTox ID：

DTXSID80602349

HScode：

2921590090

Characteristics

PSA：

83.9

XLogP3：

2.96

Appearance：

Red to brown Powder

Density：

1.39

Melting Point：

110.0 to 114.0 °C

Boiling Point：

436.6±40.0 °C(Predicted)

Flash Point：

217.9±27.3 °C

Refractive Index：

1.681

Vapor Pressure：

7.96E-08mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene Use and Manufacturing

Intermediate in the synthesis of Retigabine, a new experimental anticonvulsant drug.

Computed Properties

Molecular Weight:261.25
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:261.09135480
Monoisotopic Mass:261.09135480
Topological Polar Surface Area:83.9
Heavy Atom Count:19
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2-Amino-5-[(4-fluorobenzyl)amino]-1-nitrobenzene

SDS

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