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50803-29-7

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50803-29-7 Structure

50803-29-7 Structure
IdentificationBack Directory
[Name]

3-(CHLOROSULFONYL)-4-METHOXYBENZOIC ACID
[CAS]

50803-29-7
[Synonyms]

3-chlorosulfonyl-4-methoxybenzoicaci
3-(CHLOROSULFONYL)-4-METHOXYBENZOIC ACID
Benzoic acid, 3-(chlorosulfonyl)-4-methoxy-
3-(chlorosulfonyl)-4-methoxybenzoic acid(SALTDATA: FREE)
[Molecular Formula]

C8H7ClO5S
[MDL Number]

MFCD00024880
[MOL File]

50803-29-7.mol
[Molecular Weight]

250.66
Chemical PropertiesBack Directory
[Melting point ]

178 °C
[Boiling point ]

428.8±35.0 °C(Predicted)
[density ]

1.541±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

DMSO; DMF; THF; Methanol; Ethyl Acetate;
[form ]

Solid
[pka]

3.27±0.10(Predicted)
[color ]

Off-white
[InChI]

InChI=1S/C8H7ClO5S/c1-14-6-3-2-5(8(10)11)4-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)
[InChIKey]

OWBBPHXIAFVUMO-UHFFFAOYSA-N
[SMILES]

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

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

22
Hazard InformationBack Directory
[Uses]

3-(Chlorosulfonyl)-4-methoxy-benzoic Acid is an intermediate used in the synthesis of 5-Formyl-2-methoxy-benzenesulfonamide (F700730), which is an impurity of Tamsulosin (T006350), a specific α1-adrenoceptor antagonist used in the treatment of benign prostatic hypertrophy.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(CHLOROSULFONYL)-4-METHOXYBENZOIC ACID(50803-29-7)1HNMR
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