CAS No.24589-89-7,(4-Bromo-2-formylphenoxy)acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24589-89-7
Name:	(4-Bromo-2-formylphenoxy)acetic acid
Article Data:	8

Formula:	C₉H₇BrO₄
Molecular Weight:	259.056
Synonyms:	2-(4-Bromo-2-formylphenoxy)acetic acid;
Density:	1.699 g/cm³
Boiling Point:	413.6 °C at 760 mmHg
Flash Point:	203.9 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	63.60000
LogP:	1.72500

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Specification

The (4-Bromo-2-formylphenoxy)acetic acid has CAS registry number 24589-89-7. This chemical's molecular formula is C₉H₇BrO₄ and molecular weight is 259.05. What's more, its IUPAC name is 2-(4-Bromo-2-formylphenoxy)acetic acid.

Physical properties about (4-Bromo-2-formylphenoxy)acetic acid are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 53.57 cm³; (13)Molar Volume: 152.4 cm³; (14)Polarizability: 21.23×10^-24 cm³; (15)Surface Tension: 58.2 dyne/cm; (16)Density: 1.699 g/cm³; (17)Flash Point: 203.9 °C; (18)Enthalpy of Vaporization: 70.26 kJ/mol; (19)Boiling Point: 413.6 °C at 760 mmHg; (20)Vapour Pressure: 1.4E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(OCC(=O)O)cc1)C=O
(2) InChI: InChI=1/C9H7BrO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
(3) InChIKey: KXRYNWDCFUKVNN-UHFFFAOYAB