Back to Search
1-[1,1′-Biphenyl]-4-Yl-2-Bromoethanone
CAS: 135-73-9 | C14H11BrO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
135-73-9
Molecular Formula:
C14H11BrO
Molecular Mass:
275.15 g/mol
Names and Synonyms:
1-[1,1′-Biphenyl]-4-Yl-2-Bromoethanone
Ethanone, 1-[1,1′-biphenyl]-4-yl-2-bromo-
Acetophenone, 2-bromo-4′-phenyl-
1-[1,1′-Biphenyl]-4-yl-2-bromoethanone
2-Bromo-4′-phenylacetophenone
p-Phenylphenacyl bromide
α-Bromo-p-phenylacetophenone
ω-Bromo-4-phenylacetophenone
Bromomethyl p-biphenylyl ketone
4-Phenylphenacyl bromide
p-(Bromoacetyl)biphenyl
4-(Bromoacetyl)biphenyl
Bromomethyl 4-phenylphenyl ketone
1-(2-Bromo-1-oxoethyl)-4-phenylbenzene
α-Bromo-4-phenylacetophenone
4-Phenyl-α-bromoacetophenone
NSC 37117
1-Biphenyl-4-yl-2-bromoethanone
4-Phenyl-2′-bromoacetophenone
2-Bromo(1-biphenyl-4-yl)ethanone
2-Bromo-1-(4-phenylphenyl)ethanone
4-Bromoacetyl-1,1′-biphenyl
4-(2-Bromoacetyl)biphenyl
1-(1,1′-Biphenyl-4-yl)-2-bromoethan-1-one
2-Bromo-1-(4-phenylphenyl)ethan-1-one
Identifiers:
SMILES:
O=C(CBr)c1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
Key Properties
Melting Point
126-127 °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 | 275.15 g/mol | CAS Common Chemistry |
| 275.14500000000004 g/mol | RDKit | |
| 273.999327072 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC(=CC1)C=2C=CC=CC2)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KGHGZRVXCKCJGX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-127 °C | CAS Common Chemistry |
| Name | 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.9312000000000022 | RDKit |
| Molar Refractivity | 70.00250000000003 | RDKit |
