ChemicalBook--->CAS DataBase List--->168969-13-9

168969-13-9

168969-13-9 Structure

168969-13-9 Structure
IdentificationBack Directory
[Name]

4-Bromo-3-chlorosulfonyl-benzoic acid methyl ester
[CAS]

168969-13-9
[Synonyms]

methyl 4-bromo-3-(chlorosulfonyl)benzoate
4-Bromo-3-chlorosulfonyl-benzoic acid methyl ester
Benzoic acid, 4-bromo-3-(chlorosulfonyl)-, methyl ester
[Molecular Formula]

C8H6BrClO4S
[MDL Number]

MFCD12169456
[MOL File]

168969-13-9.mol
[Molecular Weight]

313.55
Chemical PropertiesBack Directory
[Boiling point ]

408.7±35.0 °C(Predicted)
[density ]

1.740±0.06 g/cm3(Predicted)
[form ]

solid
[color ]

White
[InChI]

InChI=1S/C8H6BrClO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3
[InChIKey]

ZGWQJOHDTZYTQW-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(Br)C(S(Cl)(=O)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P305+P351+P338-P301+P330+P331-P303+P361+P353
[HS Code ]

2904990090
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-3-chlorosulfonyl-benzoic acid methyl ester(168969-13-9)1HNMR
4-Bromo-3-chlorosulfonyl-benzoic acid methyl ester(168969-13-9)FT-IR
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