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Molecule
2-Bromo-2-Methylbutane
CAS: 507-36-8 · C5H11Br
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 507-36-8
- Molecular Formula
- C5H11Br
- Molecular Mass
- 151.05 g/mol
Identifiers
CAS Registry Number
507-36-8
SMILES
CCC(C)(C)Br
InChI Key
JOUWCKCVTDSMHF-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3
Names and Synonyms
- 2-Bromo-2-Methylbutane Synonym
- Butane, 2-bromo-2-methyl- Synonym
- 2-Bromo-2-methylbutane Synonym
- tert-Amyl bromide Synonym
- tert-Pentyl bromide Synonym
- 2-Methyl-2-bromobutane Synonym
- 1,1-Dimethylpropyl bromide Synonym
- NSC 7897 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.05 g/mol | CAS Common Chemistry |
| 151.04699999999997 g/mol | RDKit | |
| 151.047 g/mol | RDKit | |
| Density | 0.68 g/cm³ | CAS Common Chemistry |
| 0.683 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Boiling Point | 108 °C | CAS Common Chemistry |
| Canonical SMILES | BrC(C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JOUWCKCVTDSMHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Bromo-2-methylbutane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5699000000000005 | RDKit |
| 2.5699 | RDKit | |
| Molar Refractivity | 33.29699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 150.004412452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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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 = 151.05 g/mol; density = 0.680 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11Br.
