4-Fluorocinnamoyl chloride - CAS 13565-08-7

Name: 4-Fluorocinnamoyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008232
Product Name:	4-Fluorocinnamoyl chloride
CAS:	13565-08-7
Synonyms:	(E)-3-(4-fluorophenyl)prop-2-enoyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(E)-3-(4-fluorophenyl)prop-2-enoyl chloride
Description:	4-Fluorocinnamoyl chloride (CAS# 13565-08-7) is a useful research chemical.
Molecular Weight:	184.59
Molecular Formula:	C9H6ClFO
Canonical SMILES:	C1=CC(=CC=C1C=CC(=O)Cl)F
InChI:	InChI=1S/C9H6ClFO/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-6H/b6-3+
InChI Key:	GLBIKPKWQDIQCJ-ZZXKWVIFSA-N
Boiling Point:	90 °C0.1 mmHg (lit.)
Melting Point:	42-46 °C (lit.)
Purity:	95 %
Density:	1.289 g/cm³
Appearance:	White to tan solid
MDL:	MFCD03424740
LogP:	2.60430

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-110776410-A	Triketone compound containing cinnamoyl, preparation method and application thereof	20191128
CN-110776410-B	Triketone compound containing cinnamoyl, preparation method and application thereof	20191128
WO-2020233669-A1	Indole derivative-containing inhibitor, preparation method therefor and application thereof	20190522
US-2017240503-A1	N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof	20140820
US-9878977-B2	N-((3,4,5-trimethoxystyryl)aryl)cinnamamide compounds as potential anticancer agents and process for the preparation thereof	20140820

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	184.0091207
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0091207
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9