o-Nitrofluorobenzene

CAT: 0572-TRC-N495920-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-N495920-10GSize:10 g

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CAS Number

1493-27-2

Synonyms

1-Fluoro-2-nitrobenzene; 2-Fluoro-1-nitrobenzene; 2-Fluoronitrobenzene; 2-Nitro-1-fluorobenzene; 2-Nitrofluorobenzene; 4-Fluoro-3-nitrobenzene; NSC 51869; o-Fluoronitrobenzene;

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

[O-][N+](=O)c1ccccc1F

Molecular Formula

C6H4FNO2

Molecular Weight

141.1

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

1-Fluoro-2-nitrobenzene

structure given in first source

CAS Number	1493-27-2
PubChem CID	73895
IUPAC Name	1-fluoro-2-nitrobenzene
Molecular Formula	C6H4FNO2
Molecular Weight	141.10
XLogP	1.7
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	134

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])F

InChI

InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

InChIKey

PWKNBLFSJAVFAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1493-27-2

CID: 73895

Formula: C6H4FNO2

MW: 141.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	141.10
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	141.02260653
Monoisotopic Mass	141.02260653
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
165702	O-Nitrofluorobenzene
161531-01	4-Nitrofluorobenzene
233377-01	4-Methylsulfonyl-2-nitrofluorobenzene
432824-01	4-Iodo-2-nitrofluorobenzene
F03600-01	4-Fluoronitrobenzene Syunonym: 1-Fluoro-4-nitrobenzene, 4-Nitrofluorobenzene
290779	O, O, O-Triethyl Phosphorothioate
sc-473252	O, O', O''-Triethyl Phosphorothioate
OR95833-01	O, O, O-Trimethyl phosphorothioate
CS-T-86584	O, o-TEPP
B10870-01	O, o'-Biphenol

o-Nitrofluorobenzene

Chemical Information

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