5-Fluoro-2-methylbenzoic acid - CAS 33184-16-6

Catalog:	BB021594
Product Name:	5-Fluoro-2-methylbenzoic acid
CAS:	33184-16-6
Synonyms:	5-fluoro-2-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-methylbenzoic acid
Description:	Used in preparation of novel iminothiazole derivatives as cannabinoid receptor ligands.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	CC1=C(C=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C8H7FO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	JVBLXLBINTYFPR-UHFFFAOYSA-N
Boiling Point:	262.1 °C at 760 mmHg
Purity:	98 %
Density:	1.258 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00042294
LogP:	1.83230

Publication Number	Title	Priority Date
CN-112358447-A	Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid	20201116
WO-2021170886-A2	Electronic device	20200806
WO-2021204159-A1	Menin inhibitors and methods of use for treating cancer	20200408
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]
1,2,3-Trifluorobenzene

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:	158
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9