2-Chloro-6-methylbenzoic acid
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Product Description
Product
2-Chloro-6-methylbenzoic acid
CAS
21327-86-6
Formula
C8H7ClO2
Synonym
2-CHLORO-6-METHYLBENZOIC ACID; 2-CHLORO-6-METHYLBENZOIC ACID / 6-CHLORO-O-TOLUIC ACID; 6-chloro-4-methyl-benzoicaci; 6-chloro-o-toluicaci; 6-chloro-o-toluicacid; Benzoic acid, 6-chloro-4-methyl-; o-Toluic acid, 6-chloro-
Typical Product Specifications
Molecular weight
170.59
SMILES
OC(=O)c1c(Cl)cccc1C
InChI
CEFMMQYDPGCYMG-UHFFFAOYSA-N
InChIKey
1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
Water solubility
651 mg/L
pKa Dissociation Constant
2.75
log P (octanol-water)
2.31
Atmospheric OH Rate Constant
1.98E-12 cm3/molecule-sec
Vapor Pressure
8.86E-04 mm Hg
Henry's Law Constant
8.87E-08 atm-m3/mole
Melting Point
103-105°C
BRN Number
2614092
Class
2-Chloro-6-methylbenzoic acid
Product Description
Product
2-Chloro-6-methylbenzoic acid
CAS
21327-86-6
Formula
C8H7ClO2
Synonym
2-CHLORO-6-METHYLBENZOIC ACID; 2-CHLORO-6-METHYLBENZOIC ACID / 6-CHLORO-O-TOLUIC ACID; 6-chloro-4-methyl-benzoicaci; 6-chloro-o-toluicaci; 6-chloro-o-toluicacid; Benzoic acid, 6-chloro-4-methyl-; o-Toluic acid, 6-chloro-
Typical Product Specifications
Molecular weight
170.59
SMILES
OC(=O)c1c(Cl)cccc1C
InChI
CEFMMQYDPGCYMG-UHFFFAOYSA-N
InChIKey
1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11)
Water solubility
651 mg/L
pKa Dissociation Constant
2.75
log P (octanol-water)
2.31
Atmospheric OH Rate Constant
1.98E-12 cm3/molecule-sec
Vapor Pressure
8.86E-04 mm Hg
Henry's Law Constant
8.87E-08 atm-m3/mole
Melting Point
103-105°C
BRN Number
2614092
Class
