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Cas Database |
| Name |
Benzene,(difluoromethyl)- |
EINECS | N/A |
| CAS No. | 455-31-2 | Density | 1.091 g/cm3 |
| PSA | 0.00000 | LogP | 2.62420 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H6F2 | Boiling Point | 140 °C at 760 mmHg |
| Molecular Weight | 128.121 | Flash Point | 20.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39-45 | Risk Codes | 10-34 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
(Difluoromethyl)benzene;Toluene, a,a-difluoro- (6CI,7CI,8CI);a,a-Difluorotoluene;Benzal fluoride; |
Article Data | 65 |
Benzene,(difluoromethyl)- Specification
The Benzene,(difluoromethyl)- is an organic compound with the formula C7H6F2. The IUPAC name of this chemical is Difluoromethylbenzene. The CAS registry number of this chemical is 455-31-2. Besides, its molecular weight is 128.1204.
Physical properties about Benzene,(difluoromethyl)- are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.449; (6)Molar Refractivity: 31.49 cm3; (7)Molar Volume: 117.3 cm3; (8)Polarizability: 12.48×10-24 cm3; (9)Surface Tension: 24.7 dyne/cm; (10)Density: 1.091 g/cm3; (11)Flash Point: 20.3 °C; (12)Enthalpy of Vaporization: 36.17 kJ/mol; (13)Boiling Point: 140 °C at 760 mmHg; (14)Vapour Pressure: 7.81 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)c1ccccc1
(2)InChI: InChI=1/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
(3)InChIKey: JDZLOJYSBBLXQD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
(5)Std. InChIKey: JDZLOJYSBBLXQD-UHFFFAOYSA-N
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