Methyl 2-fluorobenzoate - CAS 394-35-4

Name: Methyl 2-fluorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023981
Product Name:	Methyl 2-fluorobenzoate
CAS:	394-35-4
Synonyms:	methyl 2-fluorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-fluorobenzoate
Description:	Methyl 2-fluorobenzoate (CAS# 394-35-4) is a useful research chemical.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	COC(=O)C1=CC=CC=C1F
InChI:	InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChI Key:	QAFJIJWLEBLXHH-UHFFFAOYSA-N
Boiling Point:	99 °C (18 torr)
Melting Point:	93 °C
Purity:	95 %
Density:	1.21 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00017913
LogP:	1.61230

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[132182-92-4]C7H3F13O
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

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 (16.67%): 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

Publication Number	Title	Priority Date
CN-112112640-A	Environment-friendly tracer controlled-release capsule and method thereof	20200922
CN-113354519-A	Synthetic method of heterocyclic compound	20200307
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
WO-2021139599-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106
WO-2021131845-A1	Radiation-sensitive resin composition and method for forming pattern	20191227

PMID	Publication Date	Title	Journal
22959865	20121019	Ultra trace determination of fluorobenzoic acids in tap and reservoir water using solid-phase extraction and gas chromatography-mass spectrometry	Journal of chromatography. A
22562668	20120614	Toluene dioxygenase mediated oxidation of halogen-substituted benzoate esters	Organic & biomolecular chemistry

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8