Back to Search
1,1-Bis(4-Chlorophenyl)Ethanol
CAS: 80-06-8 | C14H12Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-06-8
Molecular Formula:
C14H12Cl2O
Molecular Mass:
267.16 g/mol
Names and Synonyms:
1,1-Bis(4-Chlorophenyl)Ethanol
Benzenemethanol, 4-chloro-α-(4-chlorophenyl)-α-methyl-
Benzhydrol, 4,4′-dichloro-α-methyl-
4-Chloro-α-(4-chlorophenyl)-α-methylbenzenemethanol
ENT 9624
Bis(p-chlorophenyl)methyl carbinol
DCPC
4,4′-Dichloro-α-methylbenzhydrol
Di(p-chlorophenyl)ethanol
Dimite
DMC
Bis(4-chlorophenyl)methyl carbinol
Micasin
1,1-Bis(4-chlorophenyl)ethanol
Quickron
BPE
Mikazene
Chlorfenethol
Dimit
BCPE (pesticide)
BCPE
Qikron
1,1-Di(4-chlorophenyl)ethanol
NSC 2848
1,1-Bis(4-chlorophenyl)ethan-1-ol
Identifiers:
SMILES:
CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3
Key Properties
Melting Point
70 °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 | 267.16 g/mol | CAS Common Chemistry |
| 267.155 g/mol | RDKit | |
| 266.026520364 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(C=C1)C(O)(C2=CC=C(Cl)C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12Cl2O/c1-14(17,10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,17H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=URYAFVKLYSEINW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | 1,1-Bis(4-chlorophenyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.249200000000002 | RDKit |
| Molar Refractivity | 71.57680000000003 | RDKit |
