ChemicalBook--->CAS DataBase List--->5345-27-7

5345-27-7

5345-27-7 Structure

5345-27-7 Structure
IdentificationMore
[Name]

3-(METHYLSULFONYL)BENZOIC ACID
[CAS]

5345-27-7
[Synonyms]

3-(METHYLSULFONYL)BENZOIC ACID
3-METHYLSULPHONYLBENZOIC ACID
RARECHEM AL BO 2292
TIMTEC-BB SBB005804
3-Methylsulfonyl
3-METHYLSULFONYL BENZOIC ACID 98.0%MIN
m-Methylsulfonylbenzoic acid
3-Mesylbenzoic acid
[Molecular Formula]

C8H8O4S
[MDL Number]

MFCD00216488
[Molecular Weight]

200.21
[MOL File]

5345-27-7.mol
Chemical PropertiesBack Directory
[Appearance]

White to very slightly yellow powder
[Melting point ]

230-238 °C
[Boiling point ]

230-238°C
[density ]

1.4787 (rough estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

pK1:3.52 (25°C)
[color ]

White to very slightly yellow
[Sensitive ]

Moisture Sensitive
[InChI]

InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
[InChIKey]

KUTBMATZUQWFSR-UHFFFAOYSA-N
[SMILES]

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

5345-27-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[Hazard Note ]

Irritant
[HS Code ]

29163990
Hazard InformationBack Directory
[Chemical Properties]

White to very slightly yellow powder
[Uses]

3-(methylsulfonyl)benzoic acid is important organic synthesis intermediate, there is larger using value in producer faces such as dyestuff, medicine and agricultural chemicals.Especially in agriculture Prescription face, is the important intermediate for synthesizing mesotrione.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(METHYLSULFONYL)BENZOIC ACID(5345-27-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methylsulphonylbenzoic acid, 95%(5345-27-7)
[Alfa Aesar]

3-(Methylsulfonyl)benzoic acid(5345-27-7)
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