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Product No: AQ7963

3-Chloro-5-methylbenzoic acid, 97%

Name: 3-Chloro-5-methylbenzoic acid
Brand: Chempure

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CAS Number

56961-33-2

Molecular Weight

170.59

Formula

C8H7ClO2

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About this item

IUPAC name	3-chloro-5-methylbenzoic acid
canonical smiles	CC1=CC(=CC(=C1)Cl)C(=O)O
inchi	InChI=1S/C8H7ClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
inchi key	MZUIOLZHUUHESU-UHFFFAOYSA-N
molecular formula	C8H7ClO2
synonyms	3-Chloro-5-methylbenzoic acid 56961-33-2 Benzoic acid, 3-chloro-5-methyl- 3-Chloro-5-methylbenzoicAcid 3-CHLORO-5-METHYL-BENZOIC ACID

Computed Properties

Molecular Weight:	170.59 g/mol
XLogP3:	2.4
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	170.0134572 g/mol
Monoisotopic Mass:	170.0134572 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	158
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

Phenylacetic Acid

Nicotinic acid

2,4-Dichlorophenoxyacetic acid

Benzoic Acid

Gallic Acid

4-Hydroxybenzoic acid

4-Aminobenzoic acid

1-Chloro-4-nitrobenzene

Vanillic Acid

L-Pyroglutamic acid

Nitrobenzene

Picolinic acid

2,5-Dihydroxybenzoic acid

Tranexamic 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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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!

Product No: AQ7963

3-Chloro-5-methylbenzoic acid, 97%

Product No: AQ7963

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

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Certificate of Analysis

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Product No: AQ7963

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?