3-cyclopentylpropanoyl chloride

• ChemBase ID: 123307
• Molecular Formular: C8H13ClO
• Molecular Mass: 160.64122
• Monoisotopic Mass: 160.06549272
• SMILES: C(=O)(Cl)CCC1CCCC1
• Canonical SMILES: ClC(=O)CCC1CCCC1
• InChI: InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
• InChIKey: SZQVEGOXJYTLLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopentylpropanoyl chloride
• IUPAC Traditional name: 3-cyclopentylpropanoyl chloride
• Synonyms: 3-cyclopentylpropanoyl chloride; 3-Cyclopentylpropionyl chloride; Cyclopentanepropionyl chloride; 3-Cyclopentyl-propionyl chloride; Cyclopentanepropionyl chloride; 3-Cyclopentylpropionyl chloride; 3-环戊基丙酰氯; 环戊丙酰氯; 3-环戊基丙酰氯

Database IDs

• CAS Number: 104-97-2
• EC Number: 203-257-9
• MDL Number: MFCD00001391
• Beilstein Number: 1856952
• PubChem SID: 24856283; 162217660
• PubChem CID: 66039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6120877
• LogD (pH = 7.4): 2.6120877
• Log P: 2.6120877
• Molar Refractivity: 42.2795 cm^3
• Polarizability: 16.677477 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 199-200 °C(lit.); 199-200°C
• Flash Point: 183.2 °F; 84 °C; 84°C(184°F)
• Density: 1.049; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.4630; n20/D 1.464(lit.)

Safety Information

• Storage Warning: 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; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-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 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: C5H9CH2CH2COCl

DETAILS

Sigma Aldrich - 268593

Packaging
10 mL in glass bottle