Dibromomethane
Properties
- Molecular formula
- CH2Br2
- Molar mass
- 173.83 g/mol
- Exact mass
- 171.8523 Da
- Density
- 2.4969 g/mL (at 20 °C)
- Melting point
- −52.5 °C
- Boiling point
- 97 °C
- Water solubility
- 12 g/L (15 °C)
- logP
- 1.73Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H332 Harmful if inhaledAcute toxicity, inhalation
- H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 602-003-00-8), via PubChem.
Precautionary statements
P261, P271, P273, P304+P340, P317, P501
Identifiers
CAS number
74-95-3SMILES
BrCBrInChIKey
FJBFPHVGVWTDIP-UHFFFAOYSA-NInChI
InChI=1S/CH2Br2/c2-1-3/h1H2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.10 (s, 2H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 32.7.[M + H]+
[M + H]+ Calcd for CH3Br2 172.8596[M + Na]+
[M + Na]+ Calcd for CH2Br2Na 194.8415[M − H]−
[M − H]− Calcd for CHBr2 170.8450Elemental analysis
Anal. Calcd for CH2Br2: C, 6.91; H, 1.16.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Methane, dibromo-
- Methylene bromide
- Methylene dibromide
- NSC 7293
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 74-95-3. Each row opens the sheet with its composition and PDF.
Work with Dibromomethane
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.