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3,4-Dichlorobenzoic acid

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3,4-Dichlorobenzoic acid Basic information

Product Name:
3,4-Dichlorobenzoic acid
CAS:
51-44-5
MF:
C7H4Cl2O2
MW:
191.01
EINECS:
200-099-2
Mol File:
51-44-5.mol
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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. 
Store below +30°C.
pka
3.60±0.10(Predicted)
Water Solubility 
insoluble
BRN 
2044777
InChIKey
VPHHJAOJUJHJKD-UHFFFAOYSA-N
CAS DataBase Reference
51-44-5(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 3,4-dichloro-(51-44-5)
EPA Substance Registry System
3,4-Dichlorobenzoic acid (51-44-5)
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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

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3,4-Dichlorobenzoic acid Usage And Synthesis

Chemical Properties

White to light yellow crystal powder

Definition

ChEBI: 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 Profile

Poison by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl-.

Purification Methods

Crystallise 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.]

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