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Product No: AA8406

4-Chloro-3-nitrobenzoic acid, 99%

Name: 4-Chloro-3-nitrobenzoic acid
Brand: Chempure

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CAS Number

96-99-1

Molecular Weight

201.56

Formula

C7H4ClNO4

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About this item

IUPAC name	4-chloro-3-nitrobenzoic acid
canonical smiles	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
inchi	InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
inchi key	DFXQXFGFOLXAPO-UHFFFAOYSA-N
molecular formula	C7H4ClNO4
synonyms	4-CHLORO-3-NITROBENZOIC ACID 96-99-1 3-Nitro-4-chlorobenzoic acid Benzoic acid, 4-chloro-3-nitro- Kyselina 4-chloro-3-nitrobenzoova

Computed Properties

Molecular Weight:	201.56 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	200.9828853 g/mol
Monoisotopic Mass:	200.9828853 g/mol
Topological Polar Surface Area:	83.1 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	227
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

4,6-Dinitro-O-cresol

1-Chloro-2,4-dinitrobenzene

2,4-Dinitrophenol

Dinitolmide

Pentachloronitrobenzene

3-Chlorobenzoic acid

2,4-Dinitrotoluene

2,4-Dinitroaniline

2-Amino-4,6-dinitrotoluene

2,6-Pyridinedicarboxylic acid

2-Amino-4,6-dinitrophenol

1-Fluoro-2,4-dinitrobenzene

2,4-Dinitroanisole

4-Chloro-3-nitrobenzotrifluoride

3-Nitrobenzoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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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!

Product No: AA8406

4-Chloro-3-nitrobenzoic acid, 99%

Product No: AA8406

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

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Documentation

Certificate of Analysis

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Product No: AA8406

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?