1-bromo(2H37)octadecane

• ChemBase ID: 135331
• Molecular Formular: C18H37Br
• Molecular Mass: 333.39038
• Monoisotopic Mass: 332.20786318
• SMILES: CCCCCCCCCCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCCCCCCCCCBr
• InChI: InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
• InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo(^2H₃₇)octadecane
• IUPAC Traditional name: 1-bromo(^2H₃₇)octadecane
• Synonyms: Octadecyl bromide-d37; 1-Bromooctadecane-d37; 十八烷基溴-d37; 1-溴十八烷-d37

Database IDs

• MDL Number: MFCD00142598
• PubChem SID: 162229605
• PubChem CID: 56845926

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.56937
• LogD (pH = 7.4): 8.56937
• Log P: 8.56937
• Molar Refractivity: 92.5834 cm^3
• Polarizability: 36.420616 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 25-30 °C(lit.)
• Boiling Point: 214-216 °C/12 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.083 g/mL at 25 °C
• Mass Shift: M+37

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 369.88 by atom % calculation
• Linear Formula: CD3(CD2)16CD2Br

DETAILS

Sigma Aldrich - 614475

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.