3,4-Dichlorobenzoic acid

3,4-Dichlorobenzoic acid Basic information
Product Name:3,4-Dichlorobenzoic acid
Synonyms:Benzoic acid,3,4-dichloro-;Benzoic acid,3,4-dichloro-(8CI, 9CI);3,4-Dichlorobenzoic acid, 98+% 25GR;Dichlorobenzoic Aci;3,4-Dichlorobenzoic Acid, 97+%;RARECHEM AL BO 0329;3,4-dichloro-benzoicaci;3,4-DCBA
CAS:51-44-5
MF:C7H4Cl2O2
MW:191.01
EINECS:200-099-2
Product Categories:Carboxylic Acids;Alpha sort;D;DAlphabetic;DIA - DIC;Pesticides&Metabolites;C7;Carbonyl Compounds;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;Organic acids;API intermediates;Acids & Esters;Chlorine Compounds
Mol File:51-44-5.mol
3,4-Dichlorobenzoic acid Structure
3,4-Dichlorobenzoic acid Chemical Properties
Melting point 204-206 °C (lit.)
Boiling point 273.68°C (rough estimate)
density 1.4410 (rough estimate)
refractive index 1.4590 (estimate)
storage temp. Sealed in dry,Room Temperature
form powder to crystal
pka3.60±0.10(Predicted)
color White to Almost white
Water Solubility insoluble
BRN 2044777
InChIKeyVPHHJAOJUJHJKD-UHFFFAOYSA-N
CAS DataBase Reference51-44-5(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 3,4-dichloro-(51-44-5)
EPA Substance Registry System3,4-Dichlorobenzoic acid (51-44-5)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38-37/38-36
Safety Statements 26-36-37/39
WGK Germany 3
RTECS DG7175000
Hazard Note Irritant
TSCA Yes
HS Code 29163900
MSDS Information
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3,4-Dichlorobenzoic acid Usage And Synthesis
Chemical PropertiesWhite to light yellow crystal powder
Uses3,4-Dichlorobenzoic acid was employed as internal standard during the multiresidue analysis of pharmaceuticals and personal care products by ultra performance liquid chromatography-positive/negative electrospray tandem mass spectrometry. It was used to study the metabolic fate of 4-chloro-3,5-dinitrobenzoic acid.
DefinitionChEBI: A chlorobenzoic acid carrying chloro substituents at positions 3 and 4.
Synthesis Reference(s)Journal of the American Chemical Society, 98, p. 843, 1976 DOI: 10.1021/ja00419a038
Safety ProfilePoison by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl-.
Purification MethodsCrystallise the acid from aqueous EtOH (charcoal) or acetic acid. [Beilstein 9 IV 1006.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]
3,4-Dichlorobenzoic acid Preparation Products And Raw materials
Preparation Products3,4-Dichlorobenzoyl chloride-->3-(3,4-DICHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->2,4,5-Trichlorobenzoic acid-->3,4-DICHLORO-3',4'-DIMETHOXYBENZOPHENONE
2,4-Dichlorobenzoic acid cholest-5-en-3β-yl ester 2,3,4,5-Tetrachlorobenzoic acid 2',4',5',7'-TETRABROMO-3,4,5,6-TETRACHLOROFLUORESCEIN 4-Amino-2,3-dichlorobenzoic acid BIS(2-ETHYLHEXYL)TETRACHLOROPHTHALATE Tetrachlorophthalic acid OXALIC ACID BIS[2,4,5-TRICHLORO-6-(PENTYLOXYCARBONYL)PHENYL] ESTER LABOTEST-BB LT00847222 3,4,5-TRICHLORO-BENZOICACID LABOTEST-BB LT00451951 Tecloftalam 4,5-DICHLOROPHTHALIC ACID 1,2-Dichloro-4-(chloromethyl)benzene TETRACHLOROPHTHALIC ACID DI-N-PROPYL ESTER ROSE BENGAL LACTONE DI-N-BUTYL TETRACHLOROPHTHALATE LABOTEST-BB LT00645564 Estradiol benzoate

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