ChemicalBook--->CAS DataBase List--->15068-35-6

15068-35-6

15068-35-6 Structure

15068-35-6 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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]

2-Chloro-1,3-dimethylbenzene

6781-98-2

2-Chloro-1,3-benzenedicarboxylic acid

13049-16-6

2-Chloro-3-methylbenzoic acid

15068-35-6

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
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-3-methylbenzoic acid(15068-35-6)MS
2-Chloro-3-methylbenzoic acid(15068-35-6)1HNMR
2-Chloro-3-methylbenzoic acid(15068-35-6)13CNMR
2-Chloro-3-methylbenzoic acid(15068-35-6)IR1
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2-Chloro-m-toluic Acid,>98.0%(GC)(T)(15068-35-6)
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