METHYL4-ACETYLBENZOATE
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METHYL4-ACETYLBENZOATE
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CAS No:
3609-53-8
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Formula:
C10H10O3
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Chemical Name:
METHYL4-ACETYLBENZOATE
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Synonyms:
RARECHEMALBF0879;METHYL4-ACETYLBENZOATE;Theacetylethylbenzoate;4-AcetylMethylbenzoate;methyl4-ethanoylbenzoate;Methyl4-acetylbenzoate,99%;Methyl4-acetylbenzoate,95+%;4-ACETOBENZOICACIDMETHYLESTER;4-ACETYLBENZOICACIDMETHYLESTER;p-Acetylbenzoicacidmethylester
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CAS No:
METHYL4-ACETYLBENZOATE Basic Attributes
178.19
178.062988
3S3D53J4NT
49140
DTXSID90189671
2918300090
Safety Information
NONH for all modes of transport
3
S24/25
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
METHYL4-ACETYLBENZOATE Use and Manufacturing
Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone. Methyl 4-acetylbenzoate may be used in the preparation of 4-methoxycarbonyl-α-oxo-benzeneacetic acid and methyl 4-(2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetyl)benzoate. Methyl 4-Acetylbenzoate is used in the preparation of trisubstituted pyrazoles as novel hepatitis C virus entry inhibitors.
Computed Properties
Molecular Weight:178.18
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
