cyclopentanesulfonyl chloride

• ChemBase ID: 19141
• Molecular Formular: C5H9ClO2S
• Molecular Mass: 168.64176
• Monoisotopic Mass: 168.00117821
• SMILES: C1(CCCC1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)C1CCCC1
• InChI: InChI=1S/C5H9ClO2S/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2
• InChIKey: HZVKYZHPDGEECE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanesulfonyl chloride
• IUPAC Traditional name: cyclopentanesulfonyl chloride
• Synonyms: Cyclopentanesulfonyl chloride; Cyclopentanesulfonyl chloride; (Chlorosulphonyl)cyclopentane; Cyclopentanesulphonyl chloride; 环戊烷磺酰氯; 环戊基磺酰氯

Database IDs

• CAS Number: 26394-17-2
• MDL Number: MFCD04117774
• PubChem SID: 160982448; 24884211
• PubChem CID: 3717197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4641031
• LogD (pH = 7.4): 1.4641031
• Log P: 1.4641031
• Molar Refractivity: 36.764 cm^3
• Polarizability: 15.380417 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-73°C/2mm; 99°C/7mm
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.279; 1.279 g/mL at 25 °C
• Refractive Index: n20/D 1.4918
• Hydrophobicity(logP): 0.139

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; IRRITANT, MOISTURE SENSITIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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: 90%; 95%; 97%
• Empirical Formula (Hill Notation): C5H9ClO2S

DETAILS

Sigma Aldrich - 656607

Packaging
1 g in glass bottle