| Identification | More | [Name]
2-Chloro-3-methylbenzoic acid | [CAS]
15068-35-6 | [Synonyms]
2-CHLORO-3-METHYLBENZOIC ACID
2-CHLORO-M-TOLUIC ACID
3-methyl-2-chlorobenzoic acid
2-Chloro-3-Methyl
2-CHLORO-3-METHYLBENZOIC ACID 98% | [Molecular Formula]
C8H7ClO2 | [MDL Number]
MFCD00079736 | [Molecular Weight]
170.59 | [MOL File]
15068-35-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
142-144°C | [Boiling point ]
288.7±20.0 °C(Predicted) | [density ]
1.310±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
3.08±0.25(Predicted) | [color ]
White to Light yellow to Light orange | [InChI]
1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11) | [InChIKey]
LWOKLXMNGXXORN-UHFFFAOYSA-N | [SMILES]
Cc1cccc(C(O)=O)c1Cl | [CAS DataBase Reference]
15068-35-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
2916399090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white powder | [Uses]
2-Chloro-3-methylbenzoic acid can be used in organic synthesis and experimental research.
| [Chemical Reactivity]
2-Chloro-3-methylbenzoic acid is stable under proper conditions, it reacts with oxidizing agents.
| [Synthesis]
General procedure for the synthesis of 2-chloroisophthalic acid and 2-chloro-3-methylbenzoic acid from 2,6-dimethylchlorobenzene: In a reaction system, 140 g of 2,6-dimethylchlorobenzene, 0.14 g of Co(OAc)2, 0.14 g of NaBr, and 14 g of acetic acid were added, and the system was heated to 95 °C with stirring until the catalyst was completely dissolved. 64 g of atmospheric pressure was introduced into the system and maintained for 6.7 hours. Sample tests were performed during the reaction and showed that 20% of the feedstock 2,6-dimethylchlorobenzene remained, 40% of the product 2-chloro-3-methylbenzoic acid, 30% of 2,6-dicarboxychloride, 5% of 2-chloro-3-carboxybenzaldehyde, and 5% of 2-chloro-3-methylbenzaldehyde. After completion of the reaction, the reaction solution was cooled to room temperature. After post-treatment, the solid product 2-chloro-3-methylbenzoic acid was obtained in 30% yield. | [References]
[1] Patent: CN108530297, 2018, A. Location in patent: Paragraph 0103; 0104 |
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