1,10-dichlorodecane

• ChemBase ID: 109405
• Molecular Formular: C10H20Cl2
• Molecular Mass: 211.1718
• Monoisotopic Mass: 210.094206
• SMILES: ClCCCCCCCCCCCl
• Canonical SMILES: ClCCCCCCCCCCCl
• InChI: InChI=1S/C10H20Cl2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
• InChIKey: RBBNTRDPSVZESY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-dichlorodecane
• IUPAC Traditional name: decane, 1,10-dichloro-
• Synonyms: DECAMETHYLENE DICHLORIDE; 1,10-Dichlorodecane; 1,10-Dichlorodecane; 1,10-二氯癸烷

Database IDs

• CAS Number: 2162-98-3
• EC Number: 218-489-6
• MDL Number: MFCD00000957
• PubChem SID: 162094818; 24855407
• PubChem CID: 75101

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7452393
• LogD (pH = 7.4): 4.7452393
• Log P: 4.7452393
• Molar Refractivity: 57.7716 cm^3
• Polarizability: 22.7821 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15.6 °C(lit.); 15.6°C
• Boiling Point: 167-168 °C/28 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.999 g/ml; 0.999 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4605(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-53
• Safety Statements: 26-37/39-60
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: 95+%; 99%
• Linear Formula: Cl(CH2)10Cl

DETAILS

MP Biomedicals - 05210896

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254789

Packaging
100 g in glass bottle