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CAS No.: | 84459-33-6 |
---|---|
Name: | 2-Bromo-5-chlorobenzaldehyde |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H4BrClO |
Molecular Weight: | 219.465 |
Synonyms: | 2-Bromo-4-chloro benzaldehyde; |
Density: | 1.698 g/cm3 |
Melting Point: | 69.0 to 73.0 °C |
Boiling Point: | 264.6 °C at 760 mmHg |
Flash Point: | 113.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 17.07000 |
LogP: | 2.91500 |
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The CAS registry number of Benzaldehyde,2-bromo-4-chloro- is 84459-33-6. In addition, the molecular formula is C7H4BrClO and the molecular weight is 219.46. The systematic name is 2-bromo-4-chlorobenzaldehyde. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Benzaldehyde,2-bromo-4-chloro- are: (1)ACD/Log P: 2.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.97; (4) ACD/LogD (pH 7.4): 2.97; (5) ACD/BCF (pH 5.5): 106.33; (6) ACD/BCF (pH 7.4): 106.33; (7) ACD/KOC (pH 5.5): 982.4; (8) ACD/KOC (pH 7.4): 982.4; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 17.07 Å2; (13) Index of Refraction: 1.623; (14) Molar Refractivity: 45.59 cm3; (15) Molar Volume: 129.2 cm3; (16)Polarizability: 18.07 ×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18) Density: 1.698 g/cm3; (19) Flash Point: 113.8 °C; (20) Enthalpy of Vaporization: 50.25 kJ/mol; (21) Boiling Point: 264.6 °C at 760 mmHg; (22) Vapour Pressure: 0.0096 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(Cl)cc1Br
(2) InChI: InChI=1/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
(3) InChIKey: AJOAHIKYBSZIEV-UHFFFAOYAG