1-bromotetradecane

• ChemBase ID: 104390
• Molecular Formular: C14H29Br
• Molecular Mass: 277.28406
• Monoisotopic Mass: 276.14526293
• SMILES: CCCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCCBr
• InChI: InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
• InChIKey: KOFZTCSTGIWCQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromotetradecane
• IUPAC Traditional name: 1-bromo-N-tetradecane
• Synonyms: 1-bromotetradecane; Myristyl bromide; Tetradecyl bromide; 1-Bromotetradecane; n-Tetradecyl bromide; MYRISTYL BROMIDE; 十四烷基溴; 肉豆蔻基溴; 1-溴十四烷

Database IDs

• CAS Number: 112-71-0
• EC Number: 203-999-3
• MDL Number: MFCD00000228
• Beilstein Number: 1742640
• PubChem SID: 24851079; 162092764; 24851686
• PubChem CID: 8208

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.7910957
• LogD (pH = 7.4): 6.7910957
• Log P: 6.7910957
• Molar Refractivity: 74.1794 cm^3
• Polarizability: 29.076817 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 4-6°C; 5-6 °C(lit.)
• Boiling Point: 175-178 °C/20 mmHg(lit.); 175-178°C/20mm
• Flash Point: 113 °C; 158°C(316°F); 235.4 °F
• Density: 0.932 g/mL at 25 °C(lit.); 1.018; 1.02 g/ml
• Refractive Index: 1.4600; n20/D 1.460(lit.); n20/D 1.461

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: ≥97.0% (GC); 95%; 97%; 98%
• Grade: purum
• Linear Formula: CH3(CH2)13Br

DETAILS

MP Biomedicals - 02155764

(1-Bromotetradecane; Tetradecyl bromide) Purity: 95% 1 ml = approx. 1.02 g

Sigma Aldrich - 195332

Packaging
5, 500 mL in glass bottle