4-Acetamidobenzaldehyde
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4-Acetamidobenzaldehyde
structure -
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CAS No:
122-85-0
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Formula:
C9H9NO2
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Chemical Name:
4-Acetamidobenzaldehyde
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Synonyms:
Acetamide,N-(4-formylphenyl)-;Acetanilide,4′-formyl-;N-(4-Formylphenyl)acetamide;p-Acetamidobenzaldehyde;4-Acetamidobenzaldehyde;4′-Formylacetanilide;p-Formylacetanilide;Micotiazone;p-(Acetylamino)benzaldehyde;4-(Acetylamino)benzaldehyde;NSC 1701;NSC 1774;51870-20-3
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CAS No:
Description
light yellow crystalline powder
4-Acetamidobenzaldehyde is a member of acetamides and an anilide.
4-Acetamidobenzaldehyde Basic Attributes
163.17
163.17
204-579-2
7GR5G0JI22
1774|1701
DTXSID4059546
29242995
Characteristics
46.2
1.1
White to yellow Crystalline Powder
1.2021 (rough estimate)
157 °C
290.25°C (rough estimate)
181.8±23.3 °C
1.5300 (estimate)
Store below +30°C.
Safety Information
NONH for all modes of transport
3
36/37/38-20/22
37/39-26-24/25-S24/25
Xn,Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Acetamidobenzaldehyde Use and Manufacturing
By acetylation of p-aminobenzaldehyde and acetic anhydride. Add acetic anhydride to the benzene solution of p-aminobenzaldehyde after azeotropic dehydration, continue distillation to recover benzene, and steam the remaining benzene out. Then add water to the reaction product, adjust the pH value to 6.8-7 with sodium carbonate, add activated carbon to decolor at 95-100°C, and filter by pressure. The filtrate is cooled and crystallized, filtered, and dried at 60-65°C to obtain p-acetaminobenzaldehyde.
Used as pharmaceutical intermediate
Acetamide, N-(4-formylphenyl)-: ACTIVE
Computed Properties
Molecular Weight:163.17
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:46.2
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
