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CAS No.: | 81067-38-1 |
---|---|
Name: | 1-BROMO-2,3,5-TRICHLOROBENZENE |
Molecular Structure: | |
Formula: | C6H2BrCl3 |
Molecular Weight: | 260.345 |
Synonyms: | 1-Bromo-2,3,5-trichlorobenzene; |
EINECS: | -0 |
Density: | 1.84 g/cm3 |
Melting Point: | 58-61 °C |
Boiling Point: | 270.8 °C at 760 mmHg |
Flash Point: | 129.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 0.00000 |
LogP: | 4.40930 |
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The Benzene,1-bromo-2,3,5-trichloro-, with the CAS registry number 81067-38-1, is also known as 2,3,5-Trichlorobromobenzene. This chemical's molecular formula is C6H2BrCl3 and molecular weight is 260.34. What's more, its systematic name is called 1-Bromo-2,3,5-trichlorobenzene. This chemical should be kept in a cold and dry place.
Physical properties about Benzene,1-bromo-2,3,5-trichloro- are: (1) ACD/LogP: 4.40; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.4; (4) ACD/LogD (pH 7.4): 4.4; (5) ACD/BCF (pH 5.5): 1300.06; (6) ACD/BCF (pH 7.4): 1300.06; (7) ACD/KOC (pH 5.5): 5896.22; (8) ACD/KOC (pH 7.4): 5896.22; (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: 1.603; (14) Molar Refractivity: 48.62 cm3; (15) Molar Volume: 141.4 cm3; (16) Surface Tension: 44.4 dyne/cm; (17) Density: 1.84 g/cm3; (18) Flash Point: 129.3 °C; (19) Enthalpy of Vaporization: 48.85 kJ/mol; (20) Boiling Point: 270.8 °C at 760 mmHg; (21) Vapour Pressure: 0.0111 mmHg at 25 °C; (22) Melting Point: 58-61 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause damage to health. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)cc(Br)c1Cl
(2) InChI: InChI=1/C6H2BrCl3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
(3) InChIKey: WOIGJFAVHOCDDW-UHFFFAOYAX