(13C)carbononitridic bromide

• ChemBase ID: 135168
• Molecular Formular: CBrN
• Molecular Mass: 106.91405484
• Monoisotopic Mass: 105.92476584
• SMILES: [13C](#N)Br
• Canonical SMILES: Br[13C]#N
• InChI: InChI=1S/CBrN/c2-1-3/i1+1
• InChIKey: ATDGTVJJHBUTRL-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)carbononitridic bromide
• IUPAC Traditional name: (^1^3C)carbononitridic bromide
• Synonyms: Cyanogen bromide-13C; Bromine Monocyanide-13C; Bromocyan-13C; Bromocyanide-13C; Bromocyanogen-13C; Campilit-13C; NSC 89684-13C; Cyanogen Bromide-13C; 溴氰-13C

Database IDs

• CAS Number: 70610-98-9
• MDL Number: MFCD00190296
• PubChem SID: 162229443
• PubChem CID: 71309125

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

• Solubility: Toluene
• Apperance: White Solid
• Melting Point: 50-53 °C(lit.)
• Boiling Point: 61-62 °C
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); Highly toxic (T+)
• German water hazard class: 3
• Risk Statements: 26/27/28-32-34-50/53
• Safety Statements: 26-28-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H314-H410
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 106.90 by atom % calculation
• Linear Formula: Br13CN

DETAILS

Sigma Aldrich - 604550

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.