1-bromododecane

• ChemBase ID: 107890
• Molecular Formular: C12H25Br
• Molecular Mass: 249.2309
• Monoisotopic Mass: 248.1139628
• SMILES: CCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCBr
• InChI: InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
• InChIKey: PBLNBZIONSLZBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromododecane; ethyl 3-bromo-2-(bromomethyl)propanoate
• IUPAC Traditional name: 1-bromo-N-dodecane; ethyl 3-bromo-2-(bromomethyl)propanoate
• Synonyms: Dodecyl bromide; Lauryl bromide; 1-Bromododecane; n-Dodecyl bromide; Lauryl bromide; n-DODECYL BROMIDE; 1-bromododecane; Ethyl 3-bromo-2-(bromomethyl)propanoate; 十二烷基溴; 月桂基溴; 1-溴十二烷

Database IDs

• CAS Number: 143-15-7; 58539-11-0
• EC Number: 205-587-9
• MDL Number: MFCD00000225
• Beilstein Number: 506159
• Merck Index: 145389
• PubChem SID: 162093905; 24850272; 24850636; 24891918
• PubChem CID: 8919

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9019585
• LogD (pH = 7.4): 5.9019585
• Log P: 5.9019585
• Molar Refractivity: 64.9774 cm^3
• Polarizability: 25.407633 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -10°C; -11 - -9°C; -11--9 °C(lit.)
• Boiling Point: 134-135 °C/6 mmHg(lit.); 276°C
• Flash Point: 113 °C; 146°C(294°F); 235.4 °F
• Density: 1.038 g/mL at 25 °C(lit.); 1.040; 1.040 g/mL at 20 °C
• Refractive Index: 1.4580; n20/D 1.458; n20/D 1.458(lit.)
• Vapor Density: 8.6 (vs air)
• Hydrophobicity(logP): 6.895

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• 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: ≥95.0% (GC); ≥99.5% (GC); 95%; 97%; 98%
• Grade: puriss.; purum
• Linear Formula: CH3(CH2)11Br

DETAILS

MP Biomedicals - 05205341

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B65551

Packaging
1 kg in glass bottle
100, 500 g in glass bottle