ChemicalBook--->CAS DataBase List--->106904-09-0

106904-09-0

106904-09-0 Structure

106904-09-0 Structure
IdentificationBack Directory
[Name]

2-chloro-3-(Methylsulfonyl)benzoic acid
[CAS]

106904-09-0
[Synonyms]

2-chloro-3-(Methylsulfonyl)benzoic acid
2-chlor0-3-(Methylsulfonyl)benzoic acid
2-chloro-3-Methyl-4-(Methylsulfonyl)benzoicacid
Benzoic acid, 2-chloro-3-methyl-4-(methylsulfonyl)-
[EINECS(EC#)]

600-786-0
[Molecular Formula]

C9H9ClO4S
[MDL Number]

MFCD28291815
[MOL File]

106904-09-0.mol
[Molecular Weight]

248.68
Chemical PropertiesBack Directory
[Boiling point ]

458.9±45.0 °C(Predicted)
[density ]

1.446±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.18±0.28(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
[InChIKey]

RRFGGUXLGOVPOP-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(S(C)(=O)=O)C(C)=C1Cl
[LogP]

-2.4-1.4 at 23℃ and pH1-7
Safety DataBack Directory
[TSCA ]

TSCA listed
Spectrum DetailBack Directory
[Spectrum Detail]

2-chloro-3-(Methylsulfonyl)benzoic acid(106904-09-0)1HNMR
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