2-bromododecane

• ChemBase ID: 112427
• Molecular Formular: C12H25Br
• Molecular Mass: 249.2309
• Monoisotopic Mass: 248.1139628
• SMILES: CCCCCCCCCCC(C)Br
• Canonical SMILES: CCCCCCCCCCC(Br)C
• InChI: InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
• InChIKey: GIUUCQVKMWBSRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromododecane
• IUPAC Traditional name: 2-bromododecane
• Synonyms: 2-BROMO DODECANE; 2-Bromododecane; 2-溴十二烷

Database IDs

• CAS Number: 13187-99-0
• EC Number: 236-142-7
• MDL Number: MFCD00000150
• PubChem SID: 162097480; 24846808
• PubChem CID: 98299

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.873965
• LogD (pH = 7.4): 5.873965
• Log P: 5.873965
• Molar Refractivity: 64.7952 cm^3
• Polarizability: 25.409313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -96 °C(lit.)
• Boiling Point: 130 °C/6 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.02 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)
• Vapor Pressure: 0.29 psi ( 20 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• 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

Product Information

• Purity: 85%
• Grade: technical grade
• Linear Formula: CH3(CH2)9CH(Br)CH3

DETAILS

MP Biomedicals - 05223852

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 108499

Packaging
5 g in glass bottle