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CAS No.: | 76092-29-0 |
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Name: | 1-BROMO-4-(TRIBROMOMETHYL) BENZENE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H4Br4 |
Molecular Weight: | 407.725 |
Synonyms: | NSC 51774; |
Density: | 2.511g/cm3 |
Boiling Point: | 328.9 °C at 760 mmHg |
Flash Point: | 149.3 °C |
PSA: | 0.00000 |
LogP: | 4.74410 |
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The 1-Bromo-4-(tribromomethyl)benzene, with CAS registry number 76092-29-0, has the systematic name of 1-bromo-4-(tribromomethyl)benzene. And its IUPAC name is the same one. Besides this, it is also called benzene, 1-bromo-4-(tribromomethyl)-. And the chemical formula of this chemical is C7H4Br4.
Physical properties of 1-Bromo-4-(tribromomethyl)benzene: (1)ACD/LogP: 5.41; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.684; (8)Molar Refractivity: 61.62 cm3; (9)Molar Volume: 162.3 cm3; (10)Polarizability: 24.43×10-24cm3; (11)Surface Tension: 55.3 dyne/cm; (12)Enthalpy of Vaporization: 54.87 kJ/mol; (13)Vapour Pressure: 0.000351 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-bromo-4-methyl-benzene. This reaction will need reagent bromine. The temperature of this reaction is 210 ℃.
Uses of 1-Bromo-4-(tribromomethyl)benzene: it can be used to produce 1-bromo-4-trifluoromethyl-benzene. This reaction will need reagent antimony (III)-fluoride.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(Br)c1ccc(Br)cc1
(2)InChI: InChI=1/C7H4Br4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
(3)InChIKey: JYAVJLTUVOJMPZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H4Br4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
(5)Std. InChIKey: JYAVJLTUVOJMPZ-UHFFFAOYSA-N