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3609-53-8

3609-53-8 Structure

3609-53-8 Structure
IdentificationMore
[Name]

METHYL 4-ACETYLBENZOATE
[CAS]

3609-53-8
[Synonyms]

4-ACETOBENZOIC ACID METHYL ESTER
4-ACETYLBENZOIC ACID METHYL ESTER
METHYL 4-ACETYLBENZOATE
RARECHEM AL BF 0879
Methyl4-acetylbenzoate,99%
p-Acetylbenzoic acid methyl ester
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00216474
[Molecular Weight]

178.18
[MOL File]

3609-53-8.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO PALE YELLOW AMORPHOUS POWDER
[Melting point ]

93-96 °C (lit.)
[Boiling point ]

270.41°C (rough estimate)
[density ]

1.1601 (rough estimate)
[refractive index ]

1.5190 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Amorphous Powder
[color ]

White to pale yellow
[InChI]

InChI=1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3
[InChIKey]

QNTSFZXGLAHYLC-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(C(C)=O)C=C1
[CAS DataBase Reference]

3609-53-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO PALE YELLOW AMORPHOUS POWDER
[Definition]

ChEBI: Methyl 4-acetylbenzoate is an aromatic ketone.
[General Description]

Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone.
Questions And AnswerBack Directory
[Uses]

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.

Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-ACETYLBENZOATE(3609-53-8)MS
METHYL 4-ACETYLBENZOATE(3609-53-8)1HNMR
METHYL 4-ACETYLBENZOATE(3609-53-8)13CNMR
METHYL 4-ACETYLBENZOATE(3609-53-8)IR1
METHYL 4-ACETYLBENZOATE(3609-53-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 4-acetylbenzoate, 99+%(3609-53-8)
[Alfa Aesar]

Methyl 4-acetylbenzoate, 99%(3609-53-8)
[Sigma Aldrich]

3609-53-8(sigmaaldrich)
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