4-Formyl-3-hydroxybenzoic acid
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4-Formyl-3-hydroxybenzoic acid
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CAS No:
619-12-5
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Formula:
C8H6O4
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Chemical Name:
4-Formyl-3-hydroxybenzoic acid
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Synonyms:
Benzoic acid,4-formyl-3-hydroxy-;Terephthalaldehydic acid,3-hydroxy-;4-Formyl-3-hydroxybenzoic acid;NSC 249767
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CAS No:
Characteristics
74.6
1.5
WHITE TO TAN TO FAINT GREEN POWDER,CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
1.5±0.1 g/cm3
233-234 °C
355°C at 760 mmHg
182.7±21.6 °C
1.669
Safety Information
NONH for all modes of transport
2
R22
S26
Xn: Harmful;
P280-P305 + P351 + P338
H302-H315-H317-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Formyl-3-hydroxybenzoic acid Use and Manufacturing
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:166.13
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.02660867
Monoisotopic Mass:166.02660867
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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