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CAS No.: | 120077-69-2 |
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Name: | 4-BROMO-3-CHLORO-BENZALDEHYDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H4BrClO |
Molecular Weight: | 219.465 |
Synonyms: | 4-Bromo-3-chlorobenzaldehyde;4-Bromo-3-chloro-benzaldehyde; |
Density: | 1.698 g/cm3 |
Melting Point: | 52 °C |
Boiling Point: | 281.255 °C at 760 mmHg |
Flash Point: | 123.899 °C |
PSA: | 17.07000 |
LogP: | 2.91500 |
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The Benzaldehyde, 4-bromo-3-chloro-, with the CAS registry number of 120077-69-2, is also known as 4-Bromo-3-chloro-benzaldehyde. This chemical's molecular formula is C7H4BrClO and molecular weight is 219.46. What's more, its systematic name is called 4-Bromo-3-chlorobenzaldehyde.
Physical properties about Benzaldehyde, 4-bromo-3-chloro- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 133; (6)ACD/BCF (pH 7.4): 133; (7)ACD/KOC (pH 5.5): 1152; (8)ACD/KOC (pH 7.4): 1152; (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)Surface Tension: 47.176 dyne/cm; (17)Density: 1.698 g/cm3; (18)Flash Point: 123.899 °C; (19)Enthalpy of Vaporization: 52.004 kJ/mol; (20)Boiling Point: 281.255 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C=O)ccc1Br
(2) InChI: InChI=1/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
(3) InChIKey: LDYVDYZLCRUOTM-UHFFFAOYAX