1-bromo(2H21)decane

• ChemBase ID: 135330
• 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(^2H₂₁)decane
• IUPAC Traditional name: 1-bromo(^2H₂₁)decane
• Synonyms: Decyl bromide-d21; 1-Bromodecane-d21; 癸基溴-d21; 1-溴癸烷-d21

Database IDs

• MDL Number: MFCD00209694
• PubChem SID: 24882145; 162229604
• PubChem CID: 16217618

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: 21.737768 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.)
• Density: 1.166 g/mL at 25 °C
• Mass Shift: M+21

Safety Information

• German water hazard class: 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 241.88 by atom % calculation
• Linear Formula: CD3(CD2)8CD2Br

DETAILS

Sigma Aldrich - 614866

Packaging
1 g in ampule
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