α-Fluorocinnamic acid - CAS 350-90-3

Catalog:	BB022418
Product Name:	α-Fluorocinnamic acid
CAS:	350-90-3
Synonyms:	2-Fluoro-3-phenyl-2-propenoic acid; Cinnamic acid, α-fluoro-; 2-Fluoro-3-phenylacrylic acid; NSC 102780; Fluorocinnamic acid; 2-fluoro-3-phenyl-acrylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

Related CAS:	122076-72-6 (monoammonium salt) 20397-60-8 (E-isomer) 20397-61-9 (Z-isomer)
IUPAC Name:	2-fluoro-3-phenylprop-2-enoic acid
Molecular Weight:	166.15
Molecular Formula:	C9H7FO2
Canonical SMILES:	C1=CC=C(C=C1)C=C(C(=O)O)F
InChI:	InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChI Key:	QONCEXMULRJPPY-UHFFFAOYSA-N
Boiling Point:	289.3±20.0°C at 760 mmHg
Melting Point:	156-157°C
Purity:	95%
Density:	1.275±0.06 g/cm3
Appearance:	Solid
LogP:	2.08160

Publication Number	Title	Priority Date
CN-111592519-A	Fluorine-containing carboxylic acid compound and preparation method thereof	20190402
CN-111592519-B	Fluorine-containing carboxylic acid compound and preparation method thereof	20190402
KR-20160002318-A	Pyrimidine derivative compounds and use thereof	20140630
EP-2859105-B1	Enzymatic method for preparing hydrocarbons	20120611
EP-2797886-A2	Pain relief compounds	20111230

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[672-45-7]
6-(Trifluoromethyl)uracil

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	166.04300762
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.04300762
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2