1,12-dichlorododecane

• ChemBase ID: 112177
• Molecular Formular: C12H24Cl2
• Molecular Mass: 239.22496
• Monoisotopic Mass: 238.12550613
• SMILES: ClCCCCCCCCCCCCCl
• Canonical SMILES: ClCCCCCCCCCCCCCl
• InChI: InChI=1S/C12H24Cl2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
• InChIKey: RNXPZVYZVHJVHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,12-dichlorododecane
• IUPAC Traditional name: 1,12-dichlorododecane
• Synonyms: 1,12-DICHLORO DODECANE; 1,12-Dichlorododecane; 1,12-二氯十二烷

Database IDs

• CAS Number: 3922-28-9
• EC Number: 223-492-0
• MDL Number: MFCD00039368
• PubChem SID: 162097521
• PubChem CID: 77523

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6343765
• LogD (pH = 7.4): 5.6343765
• Log P: 5.6343765
• Molar Refractivity: 66.9736 cm^3
• Polarizability: 26.460474 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 28-30 °C(lit.); 29°C
• Boiling Point: 170-172 °C/10 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: Cl(CH2)12Cl

DETAILS

MP Biomedicals - 05222826

MP Biomedicals Rare Chemical collection