35504-85-9

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35504-85-9 Structure

Identification	Back Directory
[Name] (E)-3-(4-Fluorobenzoyl)acrylic acid
[CAS] 35504-85-9
[Synonyms] (E)-3-(4-Fluorobenzoyl)acrylic acid (E)-4-(4-Fluorophenyl)-4-oxo-2-butenoic acid 2-Butenoic acid, 4-(4-fluorophenyl)-4-oxo-, (2E)-
[Molecular Formula] C10H7FO3
[MDL Number] MFCD01656421
[MOL File] 35504-85-9.mol
[Molecular Weight] 194.16

Chemical Properties	Back Directory
[Melting point ] 148 °C(Solv: benzene (71-43-2))
[Boiling point ] 347.9±42.0 °C(Predicted)
[density ] 1.325±0.06 g/cm3(Predicted)
[storage temp. ] Storage temp. 2-8°C
[form ] solid
[pka] 3.14±0.10(Predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C10H7FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+
[InChIKey] CMSWGWOQRTZZAS-AATRIKPKSA-N
[SMILES] O=C(O)/C=C/C(C(C=C1)=CC=C1F)=O

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ] WGK 3
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral

Spectrum Detail	Back Directory
[Spectrum Detail] (E)-3-(4-Fluorobenzoyl)acrylic acid(35504-85-9)¹HNMR

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