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Di-P-Tolyl
CAS: 613-33-2 | C14H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
613-33-2
Molecular Formula:
C14H14
Molecular Mass:
182.27 g/mol
Names and Synonyms:
Di-P-Tolyl
1,1′-Biphenyl, 4,4′-dimethyl-
p,p′-Bitolyl
4,4′-Dimethyl-1,1′-biphenyl
4,4′-Dimethylbiphenyl
Di-p-tolyl
4,4′-Ditolyl
4,4′-Bitolyl
4,4′-Dimethyldiphenyl
Bi-p-tolyl
p,p′-Bitoluene
p,p′-Ditolyl
p,p′-Dimethylbiphenyl
4,4′-Bitoluene
NSC 90464
1-Bb-1
1-Methyl-4-(4-methylphenyl)benzene
Identifiers:
SMILES:
Cc1ccc(-c2ccc(C)cc2)cc1
InChI:
InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Key Properties
Boiling Point
295 °C
CAS Common Chemistry
Melting Point
125 °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 | 182.27 g/mol | CAS Common Chemistry |
| 182.266 g/mol | RDKit | |
| 182.109550448 g/mol | RDKit | |
| InChI Key | InChIKey=RZTDESRVPFKCBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1C=2C=CC(=CC2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3 | CAS Common Chemistry |
| Name | Di-p-tolyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.9704400000000026 | RDKit |
| Molar Refractivity | 61.35200000000004 | RDKit |
