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2-Bromo-3-hydroxybenzaldehyde

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Name

2-Bromo-3-hydroxybenzaldehyde

EINECS N/A
CAS No. 196081-71-7 Density 1.737 g/cm3
PSA 37.30000 LogP 1.96720
Solubility N/A Melting Point 147-148℃
Formula C7H5BrO2 Boiling Point 251.9 °C at 760 mmHg
Molecular Weight 201.019 Flash Point 106.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 196081-71-7 (2-Bromo-3-hydroxybenzaldehyde) Hazard Symbols IrritantXi
Synonyms

2-Bromo-3-hydroxybenzaldehyde;VHR CQ BE [WLN];

Article Data 7

2-Bromo-3-hydroxybenzaldehyde Specification

The Benzaldehyde,2-(4-methoxyphenoxy)- is an organic compound with the formula C7H5BrO2. Its CAS registry number is 196081-71-7. The IUPAC name of this chemical is 2-Bromo-3-hydroxybenzaldehyde. In addition, the molecular weight is 228.24. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aryl; Halogenated; Organohalides. What's more, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Bromo-3-hydroxybenzaldehyde are: (1)ACD/LogP: 2.28; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 42.57 cm3; (9)Molar Volume: 115.7 cm3; (10)Polarizability: 16.87×10-24 cm3; (11)Surface Tension: 56.9 dyne/cm; (12)Density: 1.737 g/cm3; (13)Flash Point: 106.2 °C; (14)Enthalpy of Vaporization: 50.9 kJ/mol; (15)Boiling Point: 251.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0125 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(C=O)cccc1O
(2) InChI: InChI=1/C7H5BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
(3) InChIKey: OHXPHMPERMIICA-UHFFFAOYAD

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