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Product No: AA6291

5-Fluoro-2-nitroaniline, 98%

Name: 5-Fluoro-2-nitroaniline
Brand: Chempure

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CAS Number

2369-11-1

Molecular Weight

156.12

Formula

C6H5FN2O2

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About this item

IUPAC name	5-fluoro-2-nitroaniline
canonical smiles	C1=CC(=C(C=C1F)N)[N+](=O)[O-]
inchi	InChI=1S/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
inchi key	PEDMFCHWOVJDNW-UHFFFAOYSA-N
molecular formula	C6H5FN2O2
synonyms	5-Fluoro-2-nitroaniline 2369-11-1 2-Nitro-5-fluoroaniline Benzenamine, 5-fluoro-2-nitro- 5-fluoro-2-nitrophenylamine

Computed Properties

Molecular Weight:	156.11 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	156.03350557 g/mol
Monoisotopic Mass:	156.03350557 g/mol
Topological Polar Surface Area:	71.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	159
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

4-Nitrophenol

Anthranilic acid

1-Chloro-4-nitrobenzene

Tecnazene

3-Hydroxyanthranilic acid

Pentachloronitrobenzene

4-Nitro-3-(trifluoromethyl)phenol

2-Nitro-P-phenylenediamine

2-Nitrotoluene

1-Chloro-2-nitrobenzene

4-Nitrotoluene

3-Nitrotoluene

1,2-Dinitrobenzene

3-Methyl-4-nitrophenol

4-Amino-2-nitrophenol

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (93.18%) STOT RE 2 (100%) Aquatic Chronic 3 (88.64%)
precautionary statement codes	P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501
hazard statements	H301+H311+H331 (86.36%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (93.18%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (93.18%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (93.18%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (88.64%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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Documentation

Certificate of Analysis

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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	5-fluoro-2-nitroaniline
canonical smiles	C1=CC(=C(C=C1F)N)[N+](=O)[O-]
inchi	InChI=1S/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
inchi key	PEDMFCHWOVJDNW-UHFFFAOYSA-N
molecular formula	C6H5FN2O2
synonyms	5-Fluoro-2-nitroaniline 2369-11-1 2-Nitro-5-fluoroaniline Benzenamine, 5-fluoro-2-nitro- 5-fluoro-2-nitrophenylamine

Computed Properties

Molecular Weight:	156.11 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	0
Exact Mass:	156.03350557 g/mol
Monoisotopic Mass:	156.03350557 g/mol
Topological Polar Surface Area:	71.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	159
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

4-Nitrophenol

Anthranilic acid

1-Chloro-4-nitrobenzene

Tecnazene

3-Hydroxyanthranilic acid

Pentachloronitrobenzene

4-Nitro-3-(trifluoromethyl)phenol

2-Nitro-P-phenylenediamine

2-Nitrotoluene

1-Chloro-2-nitrobenzene

4-Nitrotoluene

3-Nitrotoluene

1,2-Dinitrobenzene

3-Methyl-4-nitrophenol

4-Amino-2-nitrophenol

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (93.18%) STOT RE 2 (100%) Aquatic Chronic 3 (88.64%)
precautionary statement codes	P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501
hazard statements	H301+H311+H331 (86.36%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H301 (93.18%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (93.18%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (93.18%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (88.64%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: AA6291

5-Fluoro-2-nitroaniline, 98%

Product No: AA6291

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: AA6291

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?