-
Name
4-BROMOFLUOROBENZENE-D4
- EINECS
- CAS No. 50592-31-9
- Article Data4
- CAS DataBase
- Density 1.63 g/cm3
- Solubility
- Melting Point -16 °C (lit.)
- Formula C6BrD4F
- Boiling Point 154.5 °C at 760 mmHg
- Molecular Weight 178.968
- Flash Point 49.3 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 20-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms 4-Bromofluorobenzene-d4;
- PSA 0.00000
- LogP 2.58820
Benzene-1,2,4,5-d4, 3-bromo-6-fluoro- Specification
The Benzene-1, 2, 4, 5-d4, 3-bromo-6-fluoro-, with the CAS registry number 50592-31-9, is also known as 4-Bromofluorobenzene-d4. This chemical's molecular formula is C6BrD4F and molecular weight is 179.02. What's more, its systematic name is 1-Bromo-4-fluoro(2H4)benzene.
Physical properties about Benzene-1, 2, 4, 5-d4, 3-bromo-6-fluoro- are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 107.65; (6)ACD/BCF (pH 7.4): 107.65; (7)ACD/KOC (pH 5.5): 991.1; (8)ACD/KOC (pH 7.4): 991.1; (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: 1.53; (14)Molar Refractivity: 33.93 cm3; (15)Molar Volume: 109.8 cm3; (16)Polarizability: 13.45×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 49.3 °C; (20)Enthalpy of Vaporization: 37.52 kJ/mol; (21)Boiling Point: 154.5 °C at 760 mmHg; (22)Vapour Pressure: 4.07 mmHg at 25 °C.
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 case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(F)c([2H])c([2H])c(Br)c1[2H]
(2) InChI: InChI=1/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H/i1D,2D,3D,4D
(3) InChIKey: AITNMTXHTIIIBB-RHQRLBAQEG
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-
- Benzene-1,2,3,4,5-D5,6-(ethyl-1,1,2,2,2-D5)-
- 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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- 50592-60-4
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- 50593-30-1
- 50593-68-5
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- 50593-72-1
- 50593-91-4
- 50593-92-5
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