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50-45-3

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Identification

Name
2,3-Dichlorobenzoic acid
CAS
50-45-3
Synonyms
2,3-DICHLOROBENZOIC ACID
RARECHEM AL BO 0323
TIMTEC-BB SBB003641
2,3-dichloro-benzoicaci
2,3-DICHLOROBENZOIC ACID PESTANAL, 250 M
2,3-Dichlorobenzoicacid,98%
2,3-Dichlorobenzoic
2,3-Dichlorbenzoesure
2,3-DICHLOROBENZOIC ACID pure
EINECS(EC#)
200-039-5
Molecular Formula
C7H4Cl2O2
MDL Number
MFCD00002413
Molecular Weight
191.01
MOL File
50-45-3.mol

Chemical Properties

Appearance
white to light yellow crystal powder
Melting point 
168-170 °C (lit.)
mp 
168-170 °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
pka
2.53±0.25(Predicted)
form 
neat
Water Solubility 
slightly soluble
BRN 
1946217
InChIKey
QAOJBHRZQQDFHA-UHFFFAOYSA-N
CAS DataBase Reference
50-45-3(CAS DataBase Reference)
EPA Substance Registry System
50-45-3(EPA Substance)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
WGK Germany 
2

RTECS 
DG6475000

HazardClass 
IRRITANT
HS Code 
29163900

Raw materials And Preparation Products

Preparation Products
Lamotrigine

Material Safety Data Sheet(MSDS)

Hazard Information

Chemical Properties
white to light yellow crystal powder
Uses
2,3-Dichlorobenzoic acid is the key intermediate for antiepileptic drug Lamotrigine (L173250) and other pharmaceuticals for the treatment of central nervous system (CNS) disorders and disease.
Purification Methods
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.] Crystallise the acid from H2O, aqueous EtOH, or 30% aqueous AcOH and several times from *C6H6, then dry it in vacuo at 40o overnight. The methyl ester has m 35-39o . [Hope & Riley J Chem Soc 123 2478 1923, Lock Monatsh Chem 90 687 1959, Shorter & Mather J Chem Soc 4744 1961, Beilstein 9 II 228, 9 IV 998.]

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