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- Benzene-1,2,3,4,5-d5, 6-fluoro-
- Benzene-1,2,3,4,5-D5,6-(ethyl-1,1,2,2,2-D5)-
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- Benzene-1,2,3,4-d4, 5,6-dimethoxy-
- Benzene-1,2,3,5-d4, 4,6-di(methoxy-d3)- (9CI)
- Benzene-1,2,4,5-d4
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Cas Database |
| Name |
Benzene-1,2,4,5-d4, 3,6-dimethyl- |
EINECS | N/A |
| CAS No. | 16034-43-8 | Density | 0.903 g/cm3 |
| PSA | 0.00000 | LogP | 2.30340 |
| Solubility | N/A | Melting Point |
12-13 °C (lit.) |
| Formula | C8H6D4 | Boiling Point | 139.6 °C at 760 mmHg |
| Molecular Weight | 110.19 | Flash Point | 27.2 °C |
| Transport Information | UN 1307 | Appearance | N/A |
| Safety | 16-26-36 | Risk Codes | 10-20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1,4-dimethylbenzene-2,3,5,6-d4; |
Article Data | 5 |
Benzene-1,2,4,5-d4, 3,6-dimethyl- Specification
The Benzene-1, 2, 4, 5-d4, 3, 6-dimethyl-, with the CAS registry number 16034-43-8, is also known as 1, 4-dimethylbenzene-2, 3, 5, 6-d4. This chemical's molecular formula is C8H6D4 and molecular weight is 110.19. What's more, its systematic name is 1, 4-Dimethyl(2H4)benzene. In addition, it should be kept away from oxidant, ignition source, heat source.
Physical properties about Benzene-1, 2, 4, 5-d4, 3, 6-dimethyl- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.96; (6)ACD/BCF (pH 7.4): 142.96; (7)ACD/KOC (pH 5.5): 1214.26; (8)ACD/KOC (pH 7.4): 1214.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 35.9 cm3; (14)Molar Volume: 121.9 cm3; (15)Polarizability: 14.23×10-24 cm3; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 0.903 g/cm3; (18)Flash Point: 27.2 °C; (19)Enthalpy of Vaporization: 35.67 kJ/mol; (20)Boiling Point: 139.6 °C at 760 mmHg; (21)Vapour Pressure: 7.94 mmHg at 25 °C.
Uses of Benzene-1, 2, 4, 5-d4, 3, 6-dimethyl-: it is used to produce other chemicals. For example, it is used to produce C8H4D4Br2. The reaction needs reagents N-Bromosuccinimide and Dibenzoyl peroxide. The yield is about 40 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c([2H])c([2H])c(c1[2H])C)C
(2) InChI: InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i3D,4D,5D,6D
(3) InChIKey: URLKBWYHVLBVBO-LNFUJOGGEA
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