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Product No: AA7239

1-Fluoro-2-nitrobenzene, 99%

Name: 1-Fluoro-2-nitrobenzene
Brand: Chempure

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CAS Number

1493-27-2

Molecular Weight

141.1

Formula

C6H4FNO2

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IUPAC name	1-fluoro-2-nitrobenzene
canonical 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
inchi key	PWKNBLFSJAVFAB-UHFFFAOYSA-N
molecular formula	C6H4FNO2
synonyms	1-Fluoro-2-nitrobenzene 1493-27-2 2-Fluoronitrobenzene o-Fluoronitrobenzene o-Nitrofluorobenzene

Computed Properties

Molecular Weight:	141.10 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	141.02260653 g/mol
Monoisotopic Mass:	141.02260653 g/mol
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

Related Compounds

Benzoic Acid

4-Nitrophenol

1-Chloro-4-nitrobenzene

o-Phthalaldehyde

Tecnazene

3-Hydroxybenzoic acid

4-Nitroaniline

Picolinic acid

Nitrobenzene

Trigonelline

3-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

1,3-Dinitrobenzene

4-Nitrotoluene

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (77.01%) Acute Tox. 2 (21.26%) Acute Tox. 3 (56.32%) Skin Irrit. 2 (47.7%) Eye Irrit. 2 (47.7%) STOT SE 3 (24.14%) STOT RE 2 (46.55%)
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (77.01%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (21.26%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (56.32%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (47.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (47.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (24.14%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373 (46.55%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
hazards summary	Causes methemoglobinemia in acute oral toxic-dose studies of rats. A skin and strong eye irritant. May cause methemoglobinemia.

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Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-fluoro-2-nitrobenzene
canonical 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
inchi key	PWKNBLFSJAVFAB-UHFFFAOYSA-N
molecular formula	C6H4FNO2
synonyms	1-Fluoro-2-nitrobenzene 1493-27-2 2-Fluoronitrobenzene o-Fluoronitrobenzene o-Nitrofluorobenzene

Computed Properties

Molecular Weight:	141.10 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	141.02260653 g/mol
Monoisotopic Mass:	141.02260653 g/mol
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

Related Compounds

Benzoic Acid

4-Nitrophenol

1-Chloro-4-nitrobenzene

o-Phthalaldehyde

Tecnazene

3-Hydroxybenzoic acid

4-Nitroaniline

Picolinic acid

Nitrobenzene

Trigonelline

3-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

1,3-Dinitrobenzene

4-Nitrotoluene

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (77.01%) Acute Tox. 2 (21.26%) Acute Tox. 3 (56.32%) Skin Irrit. 2 (47.7%) Eye Irrit. 2 (47.7%) STOT SE 3 (24.14%) STOT RE 2 (46.55%)
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (77.01%): Toxic if swallowed [Danger Acute toxicity, oral] H310 (21.26%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (56.32%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (47.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (47.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (24.14%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373 (46.55%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
hazards summary	Causes methemoglobinemia in acute oral toxic-dose studies of rats. A skin and strong eye irritant. May cause methemoglobinemia.

Product No: AA7239

1-Fluoro-2-nitrobenzene, 99%

Product No: AA7239

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA7239

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?