-
Name
4-CHLOROTOLUENE-D7
- EINECS
- CAS No. 84344-06-9
- Density 1.136 g/cm3
- Solubility
- Melting Point
- Formula C7ClD7
- Boiling Point 158.495 °C at 760 mmHg
- Molecular Weight 133.53
- Flash Point 46.215 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Chlorotoluene-d7;
- PSA 0.00000
- LogP 2.64840
Benzene-1,2,4,5-d4, 3-chloro-6-(methyl-d3)- (9CI) Specification
The Benzene-1, 2, 4, 5-d4, 3-chloro-6-(methyl-d3)- (9CI), with the CAS registry number 84344-06-9, is also known as 4-Chlorotoluene-d7. This chemical's molecular formula is C7ClD7 and molecular weight is 133.6266. What's more, its systematic name is 1-Chloro-4-(2H3)methyl(2H4)benzene.
Physical properties about Benzene-1, 2, 4, 5-d4, 3-chloro-6-(methyl-d3)- (9CI) are: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.303; (4)ACD/LogD (pH 7.4): 3.303; (5)ACD/BCF (pH 5.5): 190.651; (6)ACD/BCF (pH 7.4): 190.651; (7)ACD/KOC (pH 5.5): 1492.116; (8)ACD/KOC (pH 7.4): 1492.116; (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: 1.524; (14)Molar Refractivity: 35.973 cm3; (15)Molar Volume: 117.659 cm3; (16)Polarizability: 14.261×10-24 cm3; (17)Surface Tension: 32.435 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 46.215 °C; (20)Enthalpy of Vaporization: 37.889 kJ/mol; (21)Boiling Point: 158.495 °C at 760 mmHg; (22)Vapour Pressure: 3.392 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[2H])Cl)[2H]
(2) InChI: InChI=1/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3/i1D3,2D,3D,4D,5D
(3) InChIKey: NPDACUSDTOMAMK-AAYPNNLAEM
Related Products
- Benzene-1,2,3,4,5,6-<sup>13</sup>C<sub>6</sub>
- Benzene-1,2,3,4,5,6-d6
- Benzene-1,2,3,4,5-d<sub>5</sub>
- Benzene-1,2,3,4,5-d<sub>5</sub>, 6-(ethenyl-1,2,2-d<sub>3</sub>)-
- Benzene-1,2,3,4,5-d<sub>5</sub>, 6-fluoro-
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- Benzene-1,2,3,4-d<sub>4</sub>, 5,6-di(methyl-d<sub>3</sub>)-
- Benzene-1,2,3,4-d<sub>4</sub>, 5,6-dimethoxy-
- Benzene-1,2,3,5-d<sub>4</sub>, 4,6-di(methoxy-d<sub>3</sub>)- (9CI)
- Benzene-1,2,4,5-d<sub>4</sub>
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- 84348-38-9
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- 84358-12-3
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