hexane-1-sulfonyl chloride

• ChemBase ID: 157235
• Molecular Formular: C6H13ClO2S
• Molecular Mass: 184.68422
• Monoisotopic Mass: 184.03247834
• SMILES: CCCCCCS(=O)(=O)Cl
• Canonical SMILES: CCCCCCS(=O)(=O)Cl
• InChI: InChI=1S/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
• InChIKey: AEHJDQSLTMFLQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexane-1-sulfonyl chloride
• IUPAC Traditional name: hexane-1-sulfonyl chloride
• Synonyms: 1-Hexanesulfonyl chloride; 2-己基磺酰氯

Database IDs

• CAS Number: 14532-24-2
• EC Number: 238-558-4
• MDL Number: MFCD00038683
• PubChem SID: 162251372; 24845160
• PubChem CID: 84504

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1702483
• LogD (pH = 7.4): 2.1702483
• Log P: 2.1702483
• Molar Refractivity: 43.3026 cm^3
• Polarizability: 17.905289 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.459

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥95.0% (GC)
• Linear Formula: CH3(CH2)5SO2Cl