6-chlorohex-1-ene

• ChemBase ID: 151298
• Molecular Formular: C6H11Cl
• Molecular Mass: 118.60454
• Monoisotopic Mass: 118.05492803
• SMILES: C=CCCCCCl
• Canonical SMILES: ClCCCCC=C
• InChI: InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2
• InChIKey: BLMIXWDJHNJWDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chlorohex-1-ene
• IUPAC Traditional name: 6-chlorohex-1-ene
• Synonyms: 6-Chloro-1-hexene; 6-氯-1-己烯

Database IDs

• CAS Number: 928-89-2
• EC Number: 213-186-5
• MDL Number: MFCD00039391
• PubChem SID: 162245454; 24878665
• PubChem CID: 70233

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.745063
• LogD (pH = 7.4): 2.745063
• Log P: 2.745063
• Molar Refractivity: 34.432 cm^3
• Polarizability: 13.352782 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135-136 °C(lit.)
• Flash Point: 28 °C; 82.4 °F
• Density: 0.896 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: 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 3295 3/PG 3

Product Information

• Purity: 96%
• Linear Formula: Cl(CH2)4CH=CH2

DETAILS

Sigma Aldrich - 543144

Packaging
5, 25 g in glass bottle