CAS No.120173-41-3,5-BROMOISOPHTHALALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120173-41-3
Name:	5-BROMOISOPHTHALALDEHYDE
Article Data:	14

Formula:	C₈H₅BrO₂
Molecular Weight:	213.03
Synonyms:	1-Bromo-3,5-benzenedicarboxaldehyde;5-Bromo-1,3-benzenedicarboxaldehyde;
Density:	1.652 g/cm³
Boiling Point:	307.1 °C at 760 mmHg
Flash Point:	126.6 °C
PSA:	34.14000
LogP:	2.07410

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Specification

The 1, 3-Benzenedicarboxaldehyde, 5-bromo-, with the CAS registry number of 120173-41-3, is also known as 1-Bromo-3, 5-benzenedicarboxaldehyde. This chemical's molecular formula is C₈H₅BrO₂ and molecular weight is 213.0281. What's more, its systematic name is called 5-Bromobenzene-1, 3-dicarbaldehyde.

Physical properties about 1, 3-Benzenedicarboxaldehyde, 5-bromo- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.94; (6)ACD/BCF (pH 7.4): 33.94; (7)ACD/KOC (pH 5.5): 433.84; (8)ACD/KOC (pH 7.4): 433.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 47.44 cm³; (15)Molar Volume: 128.9 cm³; (16)Surface Tension: 52.9 dyne/cm; (17)Density: 1.652 g/cm³; (18)Flash Point: 126.6 °C; (19)Enthalpy of Vaporization: 54.77 kJ/mol; (20)Boiling Point: 307.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000741 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(cc(Br)c1)C=O
(2) InChI: InChI=1/C8H5BrO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H
(3) InChIKey: QAQOLRCTTDVBAK-UHFFFAOYAQ