1-chlorocyclopent-1-ene

• ChemBase ID: 145313
• Molecular Formular: C5H7Cl
• Molecular Mass: 102.56208
• Monoisotopic Mass: 102.0236279
• SMILES: C1CC=C(C1)Cl
• Canonical SMILES: ClC1=CCCC1
• InChI: InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h3H,1-2,4H2
• InChIKey: UJUIJZWQFDQKHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorocyclopent-1-ene
• IUPAC Traditional name: 1-chlorocyclopent-1-ene
• Synonyms: 1-Chloro-1-cyclopentene; 1-氯-1-环戊烯

Database IDs

• CAS Number: 930-29-0
• MDL Number: MFCD00010247
• PubChem SID: 162239519; 24856710
• PubChem CID: 136724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9417773
• LogD (pH = 7.4): 1.9417773
• Log P: 1.9417773
• Molar Refractivity: 28.9918 cm^3
• Polarizability: 10.7948 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-115 °C(lit.)
• Flash Point: 48.2 °F; 9 °C
• Density: 1.035 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4651(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H7Cl

DETAILS

Sigma Aldrich - 276650

Packaging
5, 25 g in glass bottle