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Molecule
Bromoform
CAS: 75-25-2 · CHBr3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-25-2
- Molecular Formula
- CHBr3
- Molecular Mass
- 252.73 g/mol
Identifiers
CAS Registry Number
75-25-2
SMILES
BrC(Br)Br
InChI Key
DIKBFYAXUHHXCS-UHFFFAOYSA-N
InChI
InChI=1S/CHBr3/c2-1(3)4/h1H
Names and Synonyms
- Bromoform Common Name
- Methane, tribromo- Synonym
- Tribromomethane Synonym
- Bromoform Synonym
- Methenyl tribromide Synonym
- NSC 8019 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 252.73 g/mol | CAS Common Chemistry |
| 252.731 g/mol | RDKit | |
| Density | 2.89 g/cm³ | CAS Common Chemistry |
| 2.8899 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromoform | CAS Common Chemistry |
| Boiling Point | 149.1 °C | CAS Common Chemistry |
| Canonical SMILES | BrC(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/CHBr3/c2-1(3)4/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=DIKBFYAXUHHXCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8.0 °C | CAS Common Chemistry |
| Name | Bromoform | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.4547 | RDKit |
| Molar Refractivity | 30.569 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 249.762836332 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 252.73 g/mol; density = 2.890 g/mL. Edit any field — others recompute live.
