cyclohexanesulfonyl chloride

• ChemBase ID: 18997
• Molecular Formular: C6H11ClO2S
• Molecular Mass: 182.66834
• Monoisotopic Mass: 182.01682827
• SMILES: S(=O)(=O)(C1CCCCC1)Cl
• Canonical SMILES: ClS(=O)(=O)C1CCCCC1
• InChI: InChI=1S/C6H11ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: MJWVCJUSRGLHFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanesulfonyl chloride
• IUPAC Traditional name: cyclohexanesulfonyl chloride
• Synonyms: Cyclohexylsulfonyl chloride; Cyclohexanesulfonyl chloride; Cyclohexanesulfonyl chloride; (Chlorosulphonyl)cyclohexane; Cyclohexanesulphonyl chloride; Cyclohexanesulphonyl chloride 90%; 环己烷磺酰氯

Database IDs

• CAS Number: 4837-38-1
• MDL Number: MFCD04117775
• PubChem SID: 160982304; 24884208
• PubChem CID: 237554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9086717
• LogD (pH = 7.4): 1.9086717
• Log P: 1.9086717
• Molar Refractivity: 41.365 cm^3
• Polarizability: 17.198872 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.259; 1.259 g/mL at 25 °C
• Refractive Index: 1.499; 1.4990; n20/D 1.499
• Partition Coefficient: 2.381
• Hydrophobicity(logP): 0.698

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Keep Cold/Store under Argon; IRRITANT
• 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
• TSCA Listed: false
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95%; 95+%
• Empirical Formula (Hill Notation): C6H11ClO2S

DETAILS

Sigma Aldrich - 656542

Packaging
1, 5 g in glass bottle