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147700-58-1

147700-58-1 Structure

147700-58-1 Structure
IdentificationMore
[Name]

3,5-DIFLUOROCINNAMIC ACID
[CAS]

147700-58-1
[Synonyms]

(2E)-3-(3,5-DIFLUOROPHENYL)ACRYLIC ACID
3,5-DIFLUOROCINNAMIC ACID
RARECHEM BK HW 0255
TIMTEC-BB SBB006675
TRANS-3,5-DIFLUOROCINNAMIC ACID
trans-3,5-Difluorocinnamic acid 98%
trans-3,5-Difluorocinnamicacid98%
[Molecular Formula]

C9H6F2O2
[MDL Number]

MFCD00010321
[Molecular Weight]

184.14
[MOL File]

147700-58-1.mol
Chemical PropertiesBack Directory
[Melting point ]

204-205 °C (lit.)
[Boiling point ]

272.0±25.0 °C(Predicted)
[density ]

1.379±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.15±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+
[InChIKey]

MBAWRXICVNIUGY-OWOJBTEDSA-N
[SMILES]

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

147700-58-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white solid
[Uses]

3,5-Difluorocinnamic acid has been used in the synthesis of “unnatural” flavonoids and stilbenes in Escherichia coli.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIFLUOROCINNAMIC ACID(147700-58-1)1HNMR
3,5-DIFLUOROCINNAMIC ACID(147700-58-1)Raman
3,5-DIFLUOROCINNAMIC ACID(147700-58-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

147700-58-1(sigmaaldrich)
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