| Identification | More | [Name]
3-Chloro-4-methylbenzoic acid | [CAS]
5162-82-3 | [Synonyms]
3-CHLORO-4-METHYLBENZOIC ACID
3-CHLORO-4-TOLUIC ACID
3-CHLORO-P-TOLUIC ACID
RARECHEM AL BO 1236
3-chloro-p-toluicaci
Benzoic acid, 3-chloro-4-methyl-
3-Chloro-P-Toluic
3-CHLORO-4-METHYLBENZOIC ACID 95% | [Molecular Formula]
C8H7ClO2 | [MDL Number]
MFCD00045841 | [Molecular Weight]
170.59 | [MOL File]
5162-82-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
208 °C | [Boiling point ]
105-107 °C(Press: 6.5 Torr) | [density ]
1.310±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Sparingly), Methanol (Slightly) | [form ]
Solid | [pka]
4.00±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) | [InChIKey]
SDKUOEOJAXGCLU-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C)C(Cl)=C1 | [CAS DataBase Reference]
5162-82-3(CAS DataBase Reference) | [NIST Chemistry Reference]
P-toluic acid, 3-chloro-(5162-82-3) |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Chloro-4-methylbenzoic acid serves as a component in a mixture reacted with thionyl chloride and subsequent reagents to prepare 3-bromo-5-chloro-N-cyclopropyl-4-methylbenzamide and 3-chloro-N-cyclopropyl-4-methylbenzamide[1]. | [References]
[1] Aston, N. M., Bamborough, P., Buckton, J. B., Edwards, C. D., Holmes, D. S., Jones, K. L., Patel, V. K., Smee, P. A., Somers, D. O., Vitulli, G., & Walker, A. L. (2009). p38α Mitogen-Activated Protein Kinase Inhibitors: Optimization of a Series of Biphenylamides to Give a Molecule Suitable for Clinical Progression. Journal of Medicinal Chemistry, 52(20), 6257–6269. https://doi.org/10.1021/jm9004779 |
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