3-Chloro-4-hydroxybenzaldehyde
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3-Chloro-4-hydroxybenzaldehyde
structure -
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CAS No:
2420-16-8
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Formula:
C7H5ClO2
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Chemical Name:
3-Chloro-4-hydroxybenzaldehyde
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Synonyms:
Benzaldehyde,3-chloro-4-hydroxy-;3-Chloro-4-hydroxybenzaldehyde;4-Hydroxy-3-chlorobenzaldehyde;4-Hydroxy-5-chlorobenzaldehyde;NSC 85482
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CAS No:
Characteristics
37.3
1.9
WHITE TO PINK SOLID, POWDER OR CRYSTALS
1.4±0.1 g/cm3
139 °C
251.1°C at 760 mmHg
105.6±21.8 °C
1.632
0.00363mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38-43-41-20/21/22
S26-S37/39-S36/37/39
Xn: Harmful;
P261-P280-P305 + P351 + P338
H302-H315-H317-H318-H335
|Danger|H302 (89.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-4-hydroxybenzaldehyde Use and Manufacturing
N-chlorosuccinimide (1.1 g, 8.18 mmol) was added to a solution of 4- hydroxybenzaldehyde (1.0 g, 8.18 mmol) in 10 ml of chloroform and the mixture was heated at 50 N-chlorosuccinimide (1.1 g, 8.18 mmol) was added to a solution of 4- hydroxybenzaldehyde (1.0 g, 8.18 mmol) in 10 ml of chloroform and the mixture was heated at 50 To a stirred solution of 4-hydroxybenzaldehyde (5.0 g, 40.0 mmol) in DCM (50 mL) SOClPreparation 75 To a well stirred solution of p-hydroxybenzaldehyde (1.0 mmol) in CHClCompound R53 (4.9 g, 40 mmol) was dissolved in 80 ml of dry chloroform, protected by argon, After heating to reflux, a solution of 20 ml of sulfuryl chloride (3.2 ml, 40 mmol) in chloroform was slowly added dropwise and then refluxed overnight. The reaction solution was spin-dried and pure petroleum ether was passed through a silica gel column to obtain 2.5 g (40percent).General procedure: To a solution of substrates (1a–1q, 0.15 mmol) in trifluoroacetic acid (5 ml), hexamethylenetetramine (0.3 mmol) and cuprous oxide (0.15 mmol) were added. The reaction mixture was refluxed for about 5 h, cooled to room temperature, followed by addition of hydrochloric acid (3 N, 5 ml). After stirring for another 1 h, the solution was concentrated under reduced pressure. The products were purified by silica gel column chromatography (200–300 mesh).
Computed Properties
Molecular Weight:156.56
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:155.9978071
Monoisotopic Mass:155.9978071
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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