bromo(2H2)methane

• ChemBase ID: 134695
• Molecular Formular: CH3Br
• Molecular Mass: 94.93852
• Monoisotopic Mass: 93.9418121
• SMILES: CBr
• Canonical SMILES: CBr
• InChI: InChI=1S/CH3Br/c1-2/h1H3
• InChIKey: GZUXJHMPEANEGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(^2H₂)methane
• IUPAC Traditional name: bromo(^2H₂)methane
• Synonyms: Bromomethane-d2; 溴甲烷-d2

Database IDs

• CAS Number: 4960-89-8
• MDL Number: MFCD00190389
• PubChem SID: 24881213; 162228971
• PubChem CID: 16217395

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.02151
• LogD (pH = 7.4): 1.02151
• Log P: 1.02151
• Molar Refractivity: 14.2958 cm^3
• Polarizability: 5.5436997 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 4 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1062
• German water hazard class: 3
• Hazard Class: 2.3
• Risk Statements: 23/25-36/37/38-48/20-50-59-68
• Safety Statements: 15-27-36/39-38-45-59-61
• GHS Pictograms: GHS04; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H331-H335-H341-H373-H400
• GHS Precautionary statements: P261-P273-P281-P301 + P310-P305 + P351 + P338-P311
• RID/ADR: UN 1062 2.3
• Supplemental Hazard Statements: Hazardous to the ozone layer.

Product Information

• Isotopic Purity: 98 atom % D
• Empirical Formula (Hill Notation): CD2HBr

DETAILS

Sigma Aldrich - 588350

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.