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CAS No.: | 6627-51-6 |
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Name: | 4-BROMO-3-CHLOROTOLUENE |
Molecular Structure: | |
Formula: | C7H6BrCl |
Molecular Weight: | 205.482 |
Synonyms: | Toluene,4-bromo-3-chloro- (7CI);1-Bromo-2-chloro-4-methylbenzene;4-Bromo-3-chlorotoluene;4-Bromo-3-chlorotoluol;NSC 60109; |
Density: | 1.535 g/cm3 |
Boiling Point: | 249.7 °C at 760 mmHg |
Flash Point: | 104.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.41090 |
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The Benzene,1-bromo-2-chloro-4-methyl-, with CAS registry number 6627-51-6, belongs to the following product categories: (1)Bromine Compounds; (2)Chlorine Compounds. It has the systematic name of 1-bromo-2-iodobenzene. And its IUPAC name is 1-bromo-2-chloro-4-methylbenzene. And the chemical formula of this chemical is C7H6BrCl.
Physical properties of Benzene,1-bromo-2-chloro-4-methyl-: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 575.95; (6)ACD/BCF (pH 7.4): 575.95; (7)ACD/KOC (pH 5.5): 3292.19; (8)ACD/KOC (pH 7.4): 3292.19; (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: 1.654; (14)Molar Refractivity: 46.84 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 18.57×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 46.72 kJ/mol; (19)Vapour Pressure: 0.0357 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-chloro-4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Ic1ccccc1Br
(2)InChI: InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(3)InChIKey: OIRHKGBNGGSCGS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
(5)Std. InChIKey: OIRHKGBNGGSCGS-UHFFFAOYSA-N