ChemicalBook--->CAS DataBase List--->7499-07-2

7499-07-2

7499-07-2 Structure

7499-07-2 Structure
IdentificationMore
[Name]

4-CHLORO-2-METHYLBENZOIC ACID
[CAS]

7499-07-2
[Synonyms]

2-METHYL-4-CHLOROBENZOIC ACID
4-CHLORO-2-METHYLBENZOIC ACID
4-CHLORO-O-TOLUIC ACID
RARECHEM AL BO 0472
[Molecular Formula]

C8H7ClO2
[MDL Number]

MFCD00045852
[Molecular Weight]

170.59
[MOL File]

7499-07-2.mol
Chemical PropertiesBack Directory
[Melting point ]

167-171 °C (lit.)
[Boiling point ]

300.3±22.0 °C(Predicted)
[density ]

1.310±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.63±0.25(Predicted)
[color ]

White
[InChI]

InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
[InChIKey]

XXFKOBGFMUIWDH-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(Cl)C=C1C
[CAS DataBase Reference]

7499-07-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
[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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Sulfuric acid-->Toluene-->Sodium nitrite-->Potassium hydroxide-->Sodium cyanide-->Copper(I) chloride-->Ferric chloride-->4-Chloro-2-methylaniline
[Preparation Products]

4-Fluoro-2-methylbenzoic acid-->4-(chloromethyl)-3-nitrobenzoic acid-->4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid-->Ethyl 4-chloro-2-methylbenzoate
Hazard InformationBack Directory
[Chemical Properties]

White to yellow powder or crystal
[Uses]

4-Chloro-2-methylbenzoic acid can be used in the synthesis of:
  • 4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene
  • 4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid
  • 4-chloro-2-methyl-3-nitrobenzoic acid methyl ester
[General Description]

4-Chloro-2-methylbenzoic acid can be synthesized from 4-chlorobenzoic acid via a multi-step reaction process.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-2-METHYLBENZOIC ACID(7499-07-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-chloro-2-methylbenzoic acid(7499-07-2)
[Alfa Aesar]

4-Chloro-2-methylbenzoic acid, 98%(7499-07-2)
[Sigma Aldrich]

7499-07-2(sigmaaldrich)
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