4,5-dibromothiophene-2-sulfonyl chloride

• ChemBase ID: 34797
• Molecular Formular: C4HBr2ClO2S2
• Molecular Mass: 340.44054
• Monoisotopic Mass: 337.74732295
• SMILES: c1(S(=O)(=O)Cl)sc(c(c1)Br)Br
• Canonical SMILES: Brc1sc(cc1Br)S(=O)(=O)Cl
• InChI: InChI=1S/C4HBr2ClO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
• InChIKey: WJYGHWXWQSCONR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromothiophene-2-sulfonyl chloride
• IUPAC Traditional name: 4,5-dibromothiophene-2-sulfonyl chloride
• Synonyms: 4,5-Dibromothiophene-2-sulfonyl chloride; 4,5-Dibromothiophene-2-sulphonyl chloride; 2,3-Dibromothiophene-5-sulfonyl chloride; 4,5-Dibromothiophene-2-sulfonyl chloride; 4,5-二溴噻吩-2-磺酰氯

Database IDs

• CAS Number: 81606-31-7
• MDL Number: MFCD00041439
• Beilstein Number: 162960
• PubChem SID: 160998104
• PubChem CID: 522755

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.569488
• LogD (pH = 7.4): 3.569488
• Log P: 3.569488
• Molar Refractivity: 50.9234 cm^3
• Polarizability: 21.585688 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-79°C

Safety Information

• Storage Warning: Corrosive; IRRITANT; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%