bromotrichloro(13C)methane

• ChemBase ID: 134999
• Molecular Formular: CBrCl3
• Molecular Mass: 199.26635484
• Monoisotopic Mass: 196.82824988
• SMILES: [13C](Cl)(Cl)(Cl)Br
• Canonical SMILES: Cl[13C](Br)(Cl)Cl
• InChI: InChI=1S/CBrCl3/c2-1(3,4)5/i1+1
• InChIKey: XNNQFQFUQLJSQT-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromotrichloro(^1^3C)methane
• IUPAC Traditional name: bromotrichloro(^1^3C)methane
• Synonyms: Bromotrichloromethane-13C; 三氯溴甲烷-13C

Database IDs

• MDL Number: MFCD00190281
• PubChem SID: 162229274
• PubChem CID: 71309025

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.146655
• LogD (pH = 7.4): 3.146655
• Log P: 3.146655
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 11.561372 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -6 °C(lit.)
• Boiling Point: 105 °C(lit.)
• Density: 2.022 g/mL at 25 °C
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 199.27 by atom % calculation
• Linear Formula: Br13CCl3

DETAILS

Sigma Aldrich - 606367

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.