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CAS No.: | 86265-88-5 |
---|---|
Name: | 3-BROMO-4-CHLORO-BENZALDEHYDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H4BrClO |
Molecular Weight: | 219.465 |
Synonyms: | 3-BROMO-4-CHLORO-BENZALDEHYDE |
Density: | 1.698 g/cm3 |
Melting Point: | 70℃ |
Boiling Point: | 277.843 °C at 760 mmHg |
Flash Point: | 121.835 °C |
Appearance: | White Powder |
PSA: | 17.07000 |
LogP: | 2.91500 |
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The 3-Bromo-4-chlorobenzaldehyde, with the CAS registry number 86265-88-5, is also known as Benzaldehyde, 3-bromo-4-chloro-. This chemical's molecular formula is C7H4BrClO and molecular weight is 219.46. What's more, its systematic name is 3-Bromo-4-chlorobenzaldehyde.
Physical properties of 3-Bromo-4-chlorobenzaldehyde are: (1)ACD/LogP: 3.566; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 302.20; (6)ACD/BCF (pH 7.4): 302.20; (7)ACD/KOC (pH 5.5): 2074.91; (8)ACD/KOC (pH 7.4): 2074.91; (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: 45.591 cm3; (15)Molar Volume: 129.235 cm3; (16)Polarizability: 18.074×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.698 g/cm3; (19)Flash Point: 121.835 °C; (20)Enthalpy of Vaporization: 51.643 kJ/mol; (21)Boiling Point: 277.843 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C=O)cc1Br
(2)Std. InChI: InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
(3)Std. InChIKey: AKDABJGHOOCVKX-UHFFFAOYSA-N