(13C,15N)carbononitridic bromide

• ChemBase ID: 135169
• Molecular Formular: CBrN
• Molecular Mass: 107.90746374
• Monoisotopic Mass: 106.92180074
• SMILES: [13C](#[15N])Br
• Canonical SMILES: Br[13C]#[15N]
• InChI: InChI=1S/CBrN/c2-1-3/i1+1,3+1
• InChIKey: ATDGTVJJHBUTRL-ZKDXJZICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C,^1^5N)carbononitridic bromide
• IUPAC Traditional name: (^1^3C,^1^5N)carbononitridic bromide
• Synonyms: Cyanogen bromide-13C,15N; 溴氰-13C,15N

Database IDs

• MDL Number: MFCD00190297
• PubChem SID: 162229444
• PubChem CID: 71309126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.675621
• LogD (pH = 7.4): 0.675621
• Log P: 0.675621
• Molar Refractivity: 15.3908 cm^3
• Polarizability: 5.6303854 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-53 °C(lit.)
• Boiling Point: 61-62 °C
• Mass Shift: M+2

Product Information

• Isotopic Purity: 97% (CP); 98 atom % 15N; 99 atom % 13C
• Mol. Weight: mol wt 107.88 by atom % calculation
• Linear Formula: Br13C15N

DETAILS

Sigma Aldrich - 607614

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.