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| CAS No.: | 1927-94-2 |
|---|---|
| Name: | 3-CHLORO-2-HYDROXY-BENZALDEHYDE |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C7H5ClO2 |
| Molecular Weight: | 156.569 |
| Synonyms: | Salicylaldehyde,3-chloro- (6CI,7CI,8CI);2-Chloro-6-formylphenol;2-Hydroxy-3-chlorobenzaldehyde;3-Chloro-2-hydroxybenzaldehyde;3-Chlorosalicylaldehyde; |
| EINECS: | 626-834-0 |
| Density: | 1.404g/cm3 |
| Melting Point: | 42-44°C |
| Boiling Point: | 204.1°Cat760mmHg |
| Flash Point: | 110℃ |
| Appearance: | yellow solid |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 37.30000 |
| LogP: | 1.85810 |
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Specification
The 3-Chloro-2-hydroxybenzaldehyde with cas registry number of 1927-94-2 belongs to the classes of Aldehyde; Aryl; Organohalides; Aromatics. Its appearance is yellow solid. Both its systematic name and IUPAC name are the same which is called 3-chloro-2-hydroxybenzaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 25.3; (6)ACD/BCF (pH 7.4): 4.49; (7)ACD/KOC (pH 5.5): 345.5; (8)ACD/KOC (pH 7.4): 61.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 39.78 cm3; (14)Molar Volume: 111.4 cm3; (15)Surface Tension: 54.7 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 77.2 °C; (18)Enthalpy of Vaporization: 45.83 kJ/mol; (19)Boiling Point: 204.1 °C at 760 mmHg; (20)Vapour Pressure: 0.188 mmHg at 25°C.
Preparation of 3-Chloro-2-hydroxybenzaldehyde: it can be made by reaction of formaldehyde with 2-chloro-phenol using reagents MgCl2, Et3N, and solvent acetonitrile under condition of heating. The reaction will last 3.5 hours with 87% yield.
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Uses of 3-Chloro-2-hydroxybenzaldehyde: it can react with acetic acid anhydride to give 8-chloro-chromen-2-one by using reagent NaOAc at temperature 180 - 190 ℃. The reaction time is 18 hours with 54% yield.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(C=O)c1O;
(2)InChI: InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H;
(3)InChIKey: DOHOPUBZLWVZMZ-UHFFFAOYAU