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35504-85-9

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35504-85-9 Structure

35504-85-9 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 DetailBack Directory
[Spectrum Detail]

(E)-3-(4-Fluorobenzoyl)acrylic acid(35504-85-9)1HNMR
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