chlorocyclohexane

• ChemBase ID: 107982
• Molecular Formular: C6H11Cl
• Molecular Mass: 118.60454
• Monoisotopic Mass: 118.05492803
• SMILES: ClC1CCCCC1
• Canonical SMILES: ClC1CCCCC1
• InChI: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorocyclohexane
• IUPAC Traditional name: chlorocyclohexane
• Synonyms: Cyclohexyl chloride; Chlorocyclohexane; CHLOROCYCLOHEXANE; 环己基氯; 氯代环己烷; 氯环己烷

Database IDs

• CAS Number: 542-18-7
• EC Number: 208-806-6
• MDL Number: MFCD00003822
• Beilstein Number: 1900796
• Merck Index: 142732
• PubChem SID: 24854493; 162090134; 24891958
• PubChem CID: 10952

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6352854
• LogD (pH = 7.4): 2.6352854
• Log P: 2.6352854
• Molar Refractivity: 32.3265 cm^3
• Polarizability: 12.868654 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -44 °C(lit.); -44°C
• Boiling Point: 141-143°C; 142 °C(lit.)
• Flash Point: 116.6 °F; 28°C(82°F); 47 °C
• Density: 1 g/mL at 25 °C(lit.); 1.000
• Refractive Index: 1.4620; n20/D 1.462; n20/D 1.462(lit.)

Safety Information

• RTECS: GU8685000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 3

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H11Cl

DETAILS

MP Biomedicals - 05205664

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C105058

Packaging
100, 500 g in glass bottle