2,4,6-Trichlorobenzoic acid

CAS
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CAS
50-43-1
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Purity
98%+
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Catalog Number

ACM50431

Product Name

2,4,6-Trichlorobenzoic acid

Structure

CAS

50-43-1

Category

Heterocyclic Organic Compound

Synonyms

Benzoic acid, 2,4,6-trichloro-

IUPAC Name

2,4,6-trichlorobenzoic acid

Molecular Weight

225.5

Molecular Formula

C7H3Cl3O2

Canonical SMILES

C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

InChI

InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

InChI Key

RAFFVQBMVYYTQS-UHFFFAOYSA-N

Boiling Point

329.7±37.0 ºC

Melting Point

160-164 ºC (lit.)

Flash Point

153.2ºC

Density

1.56 g/ml

Appearance

beige to brown crystalline powder

Complexity

174

Defined Atom Stereocenter Count

EC Number

610-531-5

Exact Mass

223.9198

Formal Charge

Hazard Statements

Xi:Irritant

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

223.9198

Rotatable Bond Count

Safety Description

S26-S37/39

Topological Polar Surface Area

37.3 Å²

WGK Germany

MSDS

Download MSDS

COA

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Spec Sheet

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