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| CAS No.: | 196081-71-7 |
|---|---|
| Name: | 2-Bromo-3-hydroxybenzaldehyde |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H5BrO2 |
| Molecular Weight: | 201.019 |
| Synonyms: | 2-Bromo-3-hydroxybenzaldehyde;VHR CQ BE [WLN]; |
| Density: | 1.737 g/cm3 |
| Melting Point: | 147-148℃ |
| Boiling Point: | 251.9 °C at 760 mmHg |
| Flash Point: | 106.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 37.30000 |
| LogP: | 1.96720 |
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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