(15N)carbononitridic bromide

• ChemBase ID: 134898
• Molecular Formular: CBrN
• Molecular Mass: 106.9148089
• Monoisotopic Mass: 105.9184459
• SMILES: C(#[15N])Br
• Canonical SMILES: BrC#[15N]
• InChI: InChI=1S/CBrN/c2-1-3/i3+1
• InChIKey: ATDGTVJJHBUTRL-LBPDFUHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N)carbononitridic bromide
• IUPAC Traditional name: (^1^5N)carbononitridic bromide
• Synonyms: Cyanogen-15N bromide; 溴化氰-15N

Database IDs

• CAS Number: 63419-72-7
• MDL Number: MFCD00190521
• PubChem SID: 162229174
• PubChem CID: 71308971

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+1

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1889
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28-34-50/53
• Safety Statements: 28-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H314-H400
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310
• RID/ADR: UN 1889 6.1/PG 1

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 106.91 by atom % calculation
• Linear Formula: BrC15N

DETAILS

Sigma Aldrich - 588709

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.