Ethyl 4-fluorobenzoate - CAS 451-46-7

Catalog:	BB025777
Product Name:	Ethyl 4-fluorobenzoate
CAS:	451-46-7
Synonyms:	ethyl 4-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-fluorobenzoate
Description:	Ethyl 4-fluorobenzoate (CAS# 451-46-7) is a reactant used in the preparation of 5-aryl-1,2,4-triazole-3-thione derivatives with antimicrobial activity.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	CCOC(=O)C1=CC=C(C=C1)F
InChI:	InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI Key:	UMPRJGKLMUDRHL-UHFFFAOYSA-N
Boiling Point:	210 °C
Purity:	98 %
Density:	1.146 g/cm³
Appearance:	Colorless to pale yellow low melting solid
MDL:	MFCD00000351
LogP:	2.00240

Publication Number	Title	Priority Date
CN-112326811-A	Method for predicting content of single crude oil in mixed crude oil	20200928
CN-111764881-A	Oil-soluble trace element tracer for multistage fracturing and application thereof	20200804
CN-111362967-A	Benzoxadiazatetetradecene derivatives and use thereof	20200428
CN-111362967-B	Benzoxadiazatetetradecene derivatives and use thereof	20200428
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304

PMID	Publication Date	Title	Journal
20032865	20091127	Synthesis, structural studies and antitumoral evaluation of C-6 alkyl and alkenyl side chain pyrimidine derivatives	Molecules (Basel, Switzerland)
21581076	20081031	tert-Butyl N-benzyl-N-[4-(4-fluoro-benzoyl-meth-yl)-2-pyrid-yl]carbamate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1597-32-6]
2-Amino-6-fluoropyridine
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[1489-53-8]
1,2,3-Trifluorobenzene
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9