1,8-dichlorooctane

• ChemBase ID: 145270
• Molecular Formular: C8H16Cl2
• Molecular Mass: 183.11864
• Monoisotopic Mass: 182.06290587
• SMILES: C(CCCCCl)CCCCl
• Canonical SMILES: ClCCCCCCCCCl
• InChI: InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
• InChIKey: WXYMNDFVLNUAIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-dichlorooctane
• IUPAC Traditional name: octane, 1,8-dichloro-
• Synonyms: 1,8-Dichlorooctane; 1,8-二氯辛烷

Database IDs

• CAS Number: 2162-99-4
• EC Number: 218-490-1
• MDL Number: MFCD00039393
• Beilstein Number: 1698111
• PubChem SID: 24862181; 162239478
• PubChem CID: 75102

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8561018
• LogD (pH = 7.4): 3.8561018
• Log P: 3.8561018
• Molar Refractivity: 48.5696 cm^3
• Polarizability: 19.108856 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8°C
• Boiling Point: 115-116 °C/11 mmHg(lit.); 240-242°C
• Flash Point: 109 °C; 118°C(244°F); 228.2 °F
• Density: 1.025 g/mL at 25 °C(lit.); 1.030
• Refractive Index: 1.4590; n20/D 1.459(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%; 98+%
• Linear Formula: Cl(CH2)8Cl

DETAILS

Sigma Aldrich - 361283

Packaging
25, 100 g in glass bottle