chlorocyclopentane

• ChemBase ID: 74486
• Molecular Formular: C5H9Cl
• Molecular Mass: 104.57796
• Monoisotopic Mass: 104.03927797
• SMILES: ClC1CCCC1
• Canonical SMILES: ClC1CCCC1
• InChI: InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
• InChIKey: NDTCXABJQNJPCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorocyclopentane
• IUPAC Traditional name: cyclopentane, chloro-
• Synonyms: Cyclopentyl chloride; Chlorocyclopentane; Chlorocyclopentane; Cyclopentyl chloride; 氯化环戊烷; 氯代环戊烷; 氯环戊烷

Database IDs

• CAS Number: 930-28-9
• EC Number: 213-212-5
• MDL Number: MFCD00001360
• Beilstein Number: 1900557
• PubChem SID: 24854499; 162039405; 24849487
• PubChem CID: 70252

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1907167
• LogD (pH = 7.4): 2.1907167
• Log P: 2.1907167
• Molar Refractivity: 27.7255 cm^3
• Polarizability: 11.031027 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -94°C
• Boiling Point: 113-114°C; 114 °C(lit.)
• Flash Point: 15°C(59°F); 16 °C; 60.8 °F
• Density: 1.003; 1.005 g/mL at 25 °C(lit.)
• Refractive Index: 1.4512; n20/D 1.4512(lit.); n20/D 1.452

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 16; 16-33
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H9Cl

DETAILS

Sigma Aldrich - 155136

Packaging
100 g in glass bottle