cyclopentanecarbonyl chloride

• ChemBase ID: 91162
• Molecular Formular: C6H9ClO
• Molecular Mass: 132.58806
• Monoisotopic Mass: 132.03419259
• SMILES: O=C(C1CCCC1)Cl
• Canonical SMILES: ClC(=O)C1CCCC1
• InChI: InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2
• InChIKey: WEPUZBYKXNKSDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanecarbonyl chloride
• IUPAC Traditional name: cyclopentanecarbonyl chloride
• Synonyms: Cyclopentanecarbonyl chloride; (Chlorocarbonyl)cyclopentane; Cyclopentanecarbonyl chloride 98%; 环戊烷甲酰氯

Database IDs

• CAS Number: 4524-93-0
• EC Number: 224-856-1
• MDL Number: MFCD00001370
• Beilstein Number: 1237147
• PubChem SID: 24859728; 162077866
• PubChem CID: 78284

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9789175
• LogD (pH = 7.4): 1.9789175
• Log P: 1.9789175
• Molar Refractivity: 33.1034 cm^3
• Polarizability: 13.015354 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 161°C; 161-162 °C(lit.); 161-162°C
• Flash Point: 140 °F; 60 °C; 60°C; 60°C(140°F)
• Density: 1.091; 1.091 g/mL at 25 °C(lit.)
• Refractive Index: 1.4622; 1.4640; n20/D 1.4622(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable/Lachrymatory/Stench/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-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 2920 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C5H9COCl

DETAILS

Sigma Aldrich - 328316

Packaging
5, 25 g in glass bottle