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4-Chloro-2-fluorocinnamic acid, predominantly trans

4-Chloro-2-fluorocinnamic acid, predominantly trans - CAS 312693-55-3

Name: 4-Chloro-2-fluorocinnamic acid, predominantly trans
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020852
Product Name:	4-Chloro-2-fluorocinnamic acid, predominantly trans
CAS:	312693-55-3
Synonyms:	(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoic acid
Description:	4-Chloro-2-fluorocinnamic acid, predominantly trans (CAS# 312693-55-3 ) is a useful research chemical.
Molecular Weight:	200.59
Molecular Formula:	C9H6ClFO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)F)C=CC(=O)O
InChI:	InChI=1S/C9H6ClFO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:	FVLPOWWRHAOKMT-DUXPYHPUSA-N
Boiling Point:	316.4 °C at 760 mmHg
Density:	1.42 g/cm³
MDL:	MFCD00143287
LogP:	2.57690

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Related Functional Groups

Carbonyl Compounds

[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
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

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

Publication Number	Title	Priority Date
US-11124497-B1	Inhibitors of cysteine proteases and methods of use thereof	20200417
EP-3704111-A1	Heterocyclic mitochondrial activity inhibitors and uses thereof	20171103
CN-106831614-B	Substituted benzodiazacyclo compound and its preparation method and use	20170109
CN-106748725-B	preparation method of 4-chloro-2-fluoro-phenylpropionic acid	20161117
EP-2900669-B1	Hexahydropyrrolo[3,4-c]pyrrole derivatives and related compounds as autotaxin (atx) inhibitors and as inhibitors of the lysophosphatidic acid (lpa) production for treating e.g. renal diseases	20120925

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	200.0040353
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.0040353
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6