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Bromodiphenylmethane
CAS: 776-74-9 | C13H11Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
776-74-9
Molecular Formula:
C13H11Br
Molecular Mass:
247.13 g/mol
Names and Synonyms:
Bromodiphenylmethane
Benzene, 1,1′-(bromomethylene)bis-
Methane, bromodiphenyl-
1,1′-(Bromomethylene)bis[benzene]
Bromodiphenylmethane
Benzhydryl bromide
Diphenylmethyl bromide
α-Bromodiphenylmethane
Diphenylbromomethane
α-Phenylbenzyl bromide
1-[Bromo(phenyl)methyl]benzene
NSC 39226
(Bromomethylene)dibenzene
[Bromo(phenyl)methyl]benzene
Identifiers:
SMILES:
BrC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
Key Properties
Boiling Point
173-180 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
45 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 247.13 g/mol | CAS Common Chemistry |
| 247.13500000000002 g/mol | RDKit | |
| 246.004412452 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bromodiphenylmethane | CAS Common Chemistry |
| Boiling Point | 173-180 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=OQROAIRCEOBYJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Bromodiphenylmethane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.170900000000002 | RDKit |
| Molar Refractivity | 63.65400000000004 | RDKit |
