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CAS No.: | 2420-16-8 |
---|---|
Name: | 3-Chloro-4-hydroxybenzaldehyde |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C7H5ClO2 |
Molecular Weight: | 156.569 |
Synonyms: | 4-Hydroxy-3-chlorobenzaldehyde;4-Hydroxy-5-chlorobenzaldehyde;NSC 85482; |
Density: | 1.404 g/cm3 |
Melting Point: | 145-147 °C(lit.) |
Boiling Point: | 251.055 °C at 760 mmHg |
Flash Point: | 105.634 °C |
Appearance: | white to pink solid, powder or crystals |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 36/37/38-43-41-20/21/22 |
Safety: | 26-36/37/39-36 |
PSA: | 37.30000 |
LogP: | 1.85810 |
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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 %.
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 %.
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