4-Fluoro-2-methylbenzoic acid - CAS 321-21-1

Catalog:	BB021182
Product Name:	4-Fluoro-2-methylbenzoic acid
CAS:	321-21-1
Synonyms:	4-fluoro-2-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-2-methylbenzoic acid
Description:	4-Fluoro-2-methylbenzoic acid (CAS# 321-21-1) is a useful research chemical.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	CC1=C(C=CC(=C1)F)C(=O)O
InChI:	InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	KDXOONIQRUZGSY-UHFFFAOYSA-N
Boiling Point:	265.6 °C at 760 mmHg
Melting Point:	168-172 °C
Purity:	95 %
Density:	1.258 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD04115880
LogP:	1.83230

Publication Number	Title	Priority Date
CN-112851501-A	Chemical tracer for fracturing and preparation method and application thereof	20210122
CN-112209876-A	Preparation method of 3-trifluoromethyl isoquinolinone derivative	20201015
WO-2021158626-A1	Adamts inhibitors, preparation methods and medicinal uses thereof	20200204
WO-2021153720-A1	3-alkoxy benzoic acid amide derivative, and pest control agent	20200131
WO-2021086726-A1	Improved methods, kits, compositions and dosing regimens for the use of heterocyclic inhibitors of erk1 and erk2	20191028

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[1975118-13-8]
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

GHS Hazard Statement:	H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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