CAS No.120077-69-2,4-BROMO-3-CHLORO-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120077-69-2
Name:	4-BROMO-3-CHLORO-BENZALDEHYDE
Article Data:	12

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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Specification

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