Benzene,(1-methylethyl-1-d)- supplier

Name
2-PHENYLPROPANE-2-D1
EINECS
CAS No. 4019-54-9
Article Data5
CAS DataBase
Density 0.869 g/cm³
Solubility
Melting Point
Formula C₉H₁₁D
Boiling Point 152.409 °C at 760 mmHg
Molecular Weight 121.186
Flash Point 31.135 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cumene-a-d(6CI,7CI,8CI);2-Deutero-2-phenylpropane;
PSA 0.00000
LogP 2.81000

Benzene,(1-methylethyl-1-d)- Specification

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

Product Name

2-PHENYLPROPANE-2-D1

Benzene,(1-methylethyl-1-d)- Specification

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