4-Formylbenzoic acid
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4-Formylbenzoic acid
structure -
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CAS No:
619-66-9
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Formula:
C8H6O3
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Chemical Name:
4-Formylbenzoic acid
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Synonyms:
Benzoic acid,4-formyl-;Terephthalaldehydic acid;4-Formylbenzoic acid;p-Formylbenzoic acid;p-Carboxybenzaldehyde;4-Carboxybenzaldehyde;Terephthaldehydic acid;4-Carboxylbenzaldehyde;NSC 15797;Terephthalaldehyde acid;p-Benzoic acid aldehyde;4-CBA
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CAS No:
4-Formylbenzoic acid Basic Attributes
150.133
150.13
210-607-4
UES4QRK36E
15797
DTXSID3027249
2918300090
Characteristics
54.4
1.8
1.3±0.1 g/cm3
256 °C
SUBLIMES BEFORE REACHING BOILING POINT
169.2±19.7 °C
1.620
SLIGHTLY soluble IN HOT WATER; VERY soluble IN ALCOHOL; soluble IN ETHER AND IN CHOLROFORM
Safety Information
NONH for all modes of transport
3
R33;R36/37/38
S26-S36-S24/25
WZ0440000
Xi:Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Formylbenzoic acid Use and Manufacturing
A metabolite of aldehydes. 4-Formylbenzoic acid is usually used as reagent during esterification of 2,2,6,6-tetramethyl-4-oxopiperidinyl-1-oxyl to yield 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl 4-formylbenzoate.
Benzoic acid, 4-formyl-: ACTIVE
Computed Properties
Molecular Weight:150.13
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:150.031694049
Monoisotopic Mass:150.031694049
Topological Polar Surface Area:54.4
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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