Benzene, 1-methyl-4-(methyl-d<sub>3</sub>)- supplier

Name
P-XYLENE-A,A,A-D3
EINECS
CAS No. 26204-18-2
Article Data5
CAS DataBase
Density 0.895 g/cm³
Solubility
Melting Point
Formula C₈H₇D₃
Boiling Point 139.61 °C at 760 mmHg
Molecular Weight 109.144
Flash Point 27.222 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Xylene-a, a, a-d₃;
PSA 0.00000
LogP 2.30340

Benzene, 1-methyl-4-(methyl-d₃)- Specification

The Benzene, 1-methyl-4-(methyl-d₃)-, with the CAS registry number 26204-18-2, is also known as p-Xylene-a, a, a-d₃. This chemical's molecular formula is C₈H₇D₃ and molecular weight is 109.1835. What's more, its systematic name is 1-Methyl-4-(²H₃)methylbenzene.

Physical properties about Benzene, 1-methyl-4-(methyl-d₃)- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 143; (6)ACD/BCF (pH 7.4): 143; (7)ACD/KOC (pH 5.5): 1214; (8)ACD/KOC (pH 7.4): 1214; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 35.903 cm³; (15)Molar Volume: 121.984 cm³; (16)Polarizability: 14.233×10^-24 cm³; (17)Surface Tension: 28.791 dyne/cm; (18)Density: 0.895 g/cm³; (19)Flash Point: 27.222 °C; (20)Enthalpy of Vaporization: 35.67 kJ/mol; (21)Boiling Point: 139.61 °C at 760 mmHg; (22)Vapour Pressure: 7.943 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])c1ccc(cc1)C
(2) InChI: InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3
(3) InChIKey: URLKBWYHVLBVBO-FIBGUPNXEB

Product Name

P-XYLENE-A,A,A-D3

Benzene, 1-methyl-4-(methyl-d₃)- Specification

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Product Name

P-XYLENE-A,A,A-D3

Benzene, 1-methyl-4-(methyl-d3)- Specification

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Benzene, 1-methyl-4-(methyl-d₃)- Specification