1-bromo(10,10,10-2H3)decane

• ChemBase ID: 134696
• Molecular Formular: C10H21Br
• Molecular Mass: 221.17774
• Monoisotopic Mass: 220.08266267
• SMILES: CCCCCCCCCCBr
• Canonical SMILES: CCCCCCCCCCBr
• InChI: InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
• InChIKey: MYMSJFSOOQERIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo(10,10,10-^2H₃)decane
• IUPAC Traditional name: 1-bromo(10,10,10-^2H₃)decane
• Synonyms: Decyl bromide-10,10,10-d3; 1-Bromodecane-10,10,10-d3; 癸基溴-10,10,10-d3; 1-溴癸烷-10,10,10-d3

Database IDs

• MDL Number: MFCD01074189
• PubChem SID: 162228972
• PubChem CID: 71308869

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.012821
• LogD (pH = 7.4): 5.012821
• Log P: 5.012821
• Molar Refractivity: 55.7754 cm^3
• Polarizability: 21.74532 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 238 °C(lit.)
• Flash Point: 201.2 °F; 94 °C
• Density: 1.080 g/mL at 25 °C
• Mass Shift: M+3

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 224.18 by atom % calculation
• Linear Formula: CD3(CH2)8CH2Br

DETAILS

Sigma Aldrich - 588296

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.