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| CAS No.: | 22532-62-3 |
|---|---|
| Name: | 4-Bromo-2-hydroxybenzaldehyde |
| Article Data: | 39 |
| Molecular Structure: | |
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|
| Formula: | C7H5BrO2 |
| Molecular Weight: | 201.019 |
| Synonyms: | Salicylaldehyde,4-bromo- (8CI);2-Hydroxy-4-bromobenzaldehyde;4-Bromosalicylaldehyde; |
| EINECS: | 636-586-5 |
| Density: | 1.737 g/cm3 |
| Melting Point: | 50-54 °C |
| Boiling Point: | 256.23 °C at 760 mmHg |
| Flash Point: | 108.765 °C |
| Hazard Symbols: |
 Xi,  N,  Xn
|
| Risk Codes: | 22-50 |
| Safety: | 60 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 37.30000 |
| LogP: | 1.96720 |
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Specification
The 4-Bromo-2-hydroxybenzaldehyde with cas registry number of 22532-62-3 belongs to several categories including Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. Both its systematic name and IUPAC name are the same which is called 4-bromo-2-hydroxybenzaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 1.942; (5)ACD/BCF (pH 5.5): 35.209; (6)ACD/BCF (pH 7.4): 14.083; (7)ACD/KOC (pH 5.5): 442.917; (8)ACD/KOC (pH 7.4): 177.159; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 42.578 cm3; (14)Molar Volume: 115.714 cm3; (15)Surface Tension: 56.924 dyne/cm; (16)Density: 1.737 g/cm3; (17)Flash Point: 108.765 °C; (18)Enthalpy of Vaporization: 51.368 kJ/mol; (19)Boiling Point: 256.23 °C at 760 mmHg; (20)Vapour Pressure: 0.01 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and very toxic to aquatic organisms. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)O)C=O;
(2)InChI: InChI=1/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H;
(3)InChIKey: HXTWKHXDFATMSP-UHFFFAOYAE