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Product No: BB2057

2,5-Difluoro-4-nitrobenzoic acid, 98%

Name: 2,5-Difluoro-4-nitrobenzoic acid
Brand: Chempure

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CAS Number

116465-48-6

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IUPAC name	2,5-difluoro-4-nitrobenzoic acid
canonical smiles	C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
inchi	InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
inchi key	GPTNSBLYGCZJQV-UHFFFAOYSA-N
molecular formula	C7H3F2NO4
synonyms	2,5-difluoro-4-nitrobenzoic acid 116465-48-6 2,5-difluoro-4-nitrobenzenecarboxylic acid BENZOIC ACID, 2,5-DIFLUORO-4-NITRO- 2,5-Difluoro-4-nitrobenzoicacid

Computed Properties

Molecular Weight:	203.10 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	1
Exact Mass:	203.00301390 g/mol
Monoisotopic Mass:	203.00301390 g/mol
Topological Polar Surface Area:	83.1 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	255
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

Terephthalic acid

4-Methylbenzoic acid

4-Nitrotoluene

4-Chlorobenzoic acid

3,5-Dichlorobenzoic acid

p-Anisic acid

1,4-Dinitrobenzene

2,5-Dinitrophenol

4-Nitrobenzoic acid

4-Isopropylbenzoic acid

4-Formylbenzoic acid

4-Nitrobenzyl chloride

4-Nitrobenzaldehyde

1,2-Dimethyl-4-nitrobenzene

3,5-Dichloro-4-hydroxybenzoic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (40%) Acute Tox. 4 (20%) Skin Irrit. 2 (80%) Eye Irrit. 2A (80%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

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*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	2,5-difluoro-4-nitrobenzoic acid
canonical smiles	C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
inchi	InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
inchi key	GPTNSBLYGCZJQV-UHFFFAOYSA-N
molecular formula	C7H3F2NO4
synonyms	2,5-difluoro-4-nitrobenzoic acid 116465-48-6 2,5-difluoro-4-nitrobenzenecarboxylic acid BENZOIC ACID, 2,5-DIFLUORO-4-NITRO- 2,5-Difluoro-4-nitrobenzoicacid

Computed Properties

Molecular Weight:	203.10 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	1
Exact Mass:	203.00301390 g/mol
Monoisotopic Mass:	203.00301390 g/mol
Topological Polar Surface Area:	83.1 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	255
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

Terephthalic acid

4-Methylbenzoic acid

4-Nitrotoluene

4-Chlorobenzoic acid

3,5-Dichlorobenzoic acid

p-Anisic acid

1,4-Dinitrobenzene

2,5-Dinitrophenol

4-Nitrobenzoic acid

4-Isopropylbenzoic acid

4-Formylbenzoic acid

4-Nitrobenzyl chloride

4-Nitrobenzaldehyde

1,2-Dimethyl-4-nitrobenzene

3,5-Dichloro-4-hydroxybenzoic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (40%) Acute Tox. 4 (20%) Skin Irrit. 2 (80%) Eye Irrit. 2A (80%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BB2057

2,5-Difluoro-4-nitrobenzoic acid, 98%

Product No: BB2057

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: BB2057

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?