CAS No.2420-26-0,4-Chloro-2-hydroxybenzaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2420-26-0
Name:	4-Chloro-2-hydroxybenzaldehyde
Article Data:	40

Formula:	C₇H₅ClO₂
Molecular Weight:	156.569
Synonyms:	2-hydroxy-4-chlorobenzaldehyde;4-Chloro-2-Hydroxybenzaldehyde;5-chloro-2-formylphenol;Benzaldehyde,4-chloro-2-hydroxy;4-chlorosalicylaldehyde;5-chlorosalicylaldehyde;3-chlorosalicylaldehyde;4-Chlorosalicylaldehyde;4-chloro-2-hydroxy-benzaldehyde;
EINECS:	695-765-6
Density:	1.404 g/cm³
Melting Point:	45.0 to 49.0 °C
Boiling Point:	229.1 °C at 760 mmHg
Flash Point:	92.4 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	37.30000
LogP:	1.85810

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Specification

The 4-Chloro-2-hydroxybenzaldehyde is also the systematic name and IUPAC name of this compound. Its cas registry number is 2420-26-0. This chemcial belongs to several categories: Aromatic Aldehydes & Derivatives (substituted);Aldehydes;Phenyls & Phenyl-Het.

The Physical properties about this chemical are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 45.84; (6)ACD/BCF (pH 7.4): 18.33; (7)ACD/KOC (pH 5.5): 534.98; (8)ACD/KOC (pH 7.4): 213.99; (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: 92.4 °C; (18)Enthalpy of Vaporization: 48.47 kJ/mol; (19)Boiling Point: 229.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0468 mmHg at 25°C.

Preparation: when formaldehyde reacts with 3-chloro-phenol, this reactio will give 4-Chloro-2-hydroxybenzaldehyde. Meanwhile, 2-chloro-6-hydroxy-benzaldehyde will be made. This reaction will need reagents MgCl₂, Et₃N and solvent acetonitrile with heating. The reaction time is 2 hours with yield of 63%.

Uses of 4-Chloro-2-hydroxybenzaldehyde: this chemical can react with propan-2-one to prepare 4-(4-chloro-2-hydroxy-phenyl)-but-3-en-2-one using reagents NaOH and solvent water at temperature of 20 ℃. This reaction is a kind of Claisen-Schmidt condensation reaction. The yield is about 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(O)cc(Cl)cc1;
(2)InChI: InChI=1/C7H5ClO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H;
(3)InChIKey: QNZWAJZEJAOVPN-UHFFFAOYAN