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3-Chloro-4-hydroxybenzaldehyde

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Name

3-Chloro-4-hydroxybenzaldehyde

EINECS N/A
CAS No. 2420-16-8 Density 1.404 g/cm3
PSA 37.30000 LogP 1.85810
Solubility N/A Melting Point 145-147 °C(lit.)
Formula C7H5ClO2 Boiling Point 251.055 °C at 760 mmHg
Molecular Weight 156.569 Flash Point 105.634 °C
Transport Information N/A Appearance white to pink solid, powder or crystals
Safety 26-36/37/39-36 Risk Codes 36/37/38-43-41-20/21/22
Molecular Structure Molecular Structure of 2420-16-8 (3-Chloro-4-hydroxybenzaldehyde) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4-Hydroxy-3-chlorobenzaldehyde;4-Hydroxy-5-chlorobenzaldehyde;NSC 85482;

Article Data 29

3-Chloro-4-hydroxybenzaldehyde Specification

The Benzaldehyde,3-chloro-4-hydroxy-, with the CAS registry number 2420-16-8, is also known as 4-Hydroxy-3-chlorobenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (Substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; Phenyls & Phenyl-Het; C7; Carbonyl Compounds. This chemical's molecular formula is C7H5ClO2 and molecular weight is 156.57. What's more, both its IUPAC name and systematic name are the same which is called 3-Chloro-4-hydroxybenzaldehyde. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Benzaldehyde,3-chloro-4-hydroxy- are: (1)ACD/LogP: 2.009; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 17.13; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 255.09; (8)ACD/KOC (pH 7.4): 22.10; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 39.782 cm3; (15)Molar Volume: 111.48 cm3; (16)Polarizability: 15.771×10-24cm3; (17)Surface Tension: 54.73 dyne/cm; (18)Density: 1.404 g/cm3; (19)Flash Point: 105.634 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 251.055 °C at 760 mmHg; (22)Vapour Pressure: 0.0130 mmHg at 25 °C.

Preparation of Benzaldehyde,3-chloro-4-hydroxy-: this chemical can be prepared by 3-chloro-4-hydroxy-benzyl alcohol. This reaction needs reagent pyridinium chlorochromate and solvent ethyl acetate at temperature of °C. The reaction time is 2 hours. The yield is 77 %.

Benzaldehyde,3-chloro-4-hydroxy- can be prepared by 3-chloro-4-hydroxy-benzyl alcohol.

Uses of Benzaldehyde,3-chloro-4-hydroxy-: it is used to produce other chemicals. For example, it can react with bromomethyl-benzene to get 4-benzyloxy-3-chloro-benzaldehyde. The reaction occurs with reagent K2CO3 and other condition of heating for 2 hours. The yield is 92 %.

Benzaldehyde,3-chloro-4-hydroxy- can react with bromomethyl-benzene to get 4-benzyloxy-3-chloro-benzaldehyde.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C=O)ccc1O
(2) InChI: InChI=1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
(3) InChIKey: VGSOCYWCRMXQAB-UHFFFAOYSA-N

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