tetrabromo(13C)methane

• ChemBase ID: 147897
• Molecular Formular: CBr4
• Molecular Mass: 332.61935484
• Monoisotopic Mass: 328.67670284
• SMILES: [13C](Br)(Br)(Br)Br
• Canonical SMILES: Br[13C](Br)(Br)Br
• InChI: InChI=1S/CBr4/c2-1(3,4)5/i1+1
• InChIKey: HJUGFYREWKUQJT-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabromo(^1^3C)methane
• IUPAC Traditional name: tetrabromo(^1^3C)methane
• Synonyms: Carbon-13C tetrabromide; 四溴化碳-13C

Database IDs

• CAS Number: 72802-79-0
• MDL Number: MFCD00083916
• PubChem SID: 162242078; 24872397
• PubChem CID: 12253231

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5968134
• LogD (pH = 7.4): 3.5968134
• Log P: 3.5968134
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 15.332903 Å^3

PROPERTIES

Physical Property

• Melting Point: 88-90 °C(lit.)
• Boiling Point: 190 °C(lit.)
• Density: 3.43 g/mL
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2516
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• RID/ADR: UN 2516 6.1/PG 3

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 332.62 by atom % calculation
• Linear Formula: 13CBr4

DETAILS

Sigma Aldrich - 488461

Packaging
500 mg in glass bottle
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.