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Name |
Benzene,(1-methylethyl-1-d)- |
EINECS | N/A |
CAS No. | 4019-54-9 | Density | 0.869 g/cm3 |
PSA | 0.00000 | LogP | 2.81000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11D | Boiling Point | 152.409 °C at 760 mmHg |
Molecular Weight | 121.186 | Flash Point | 31.135 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cumene-a-d(6CI,7CI,8CI);2-Deutero-2-phenylpropane; |
Article Data | 5 |
The Benzene,(1-methylethyl-1-d)- is an organic compound with the formula C9H11D. The systematic name of this chemical is (2-2H)propan-2-ylbenzene. With the CAS registry number 4019-54-9, it is also named as 2-Phenylpropane-2-d1.
Physical properties about Benzene,(1-methylethyl-1-d)- are: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 297; (5)ACD/BCF (pH 7.4): 297; (6)ACD/KOC (pH 5.5): 2051; (7)ACD/KOC (pH 7.4): 2051; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.491; (10)Molar Refractivity: 40.438 cm3; (11)Molar Volume: 139.506 cm3; (12)Polarizability: 16.031×10-24cm3; (13)Surface Tension: 28.495 dyne/cm; (14)Density: 0.869 g/cm3; (15)Flash Point: 31.135 °C; (16)Enthalpy of Vaporization: 37.32 kJ/mol; (17)Boiling Point: 152.409 °C at 760 mmHg; (18)Vapour Pressure: 4.477 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC([2H])(C)c1ccccc1
(2)InChI: InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3/i8D
(3)InChIKey: RWGFKTVRMDUZSP-BNEYPBHNEZ
(4)Std. InChI: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3/i8D
(5)Std. InChIKey: RWGFKTVRMDUZSP-BNEYPBHNSA-N