2-Fluoro-5-methylbenzonitrile - CAS 64113-84-4

Catalog:	BB032372
Product Name:	2-Fluoro-5-methylbenzonitrile
CAS:	64113-84-4
Synonyms:	2-fluoro-5-methylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-5-methylbenzonitrile
Description:	2-Fluoro-5-methylbenzonitrile (CAS# 64113-84-4) is used in the synthesis of indazoles which have the potential to be selective for the α2-adrenoceptor and central and peripheral nervous systems.
Molecular Weight:	135.14
Molecular Formula:	C8H6FN
Canonical SMILES:	CC1=CC(=C(C=C1)F)C#N
InChI:	InChI=1S/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChI Key:	CMAOLVNGLTWICC-UHFFFAOYSA-N
Boiling Point:	204 °C
Melting Point:	50-52 °C
Purity:	95 %
Density:	1.11 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00134542
LogP:	2.00578

Publication Number	Title	Priority Date
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030
WO-2021076448-A1	Somatostatin modulators for treating pituitary adenomas	20191014
WO-2021046183-A1	Methods of treating epilepsy using the same	20190905
WO-2021030262-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
US-2020352925-A1	Amide derivatives useful in the treatment of hbv infection or hbv-induced diseases	20190506

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[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

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

GHS Hazard Statement:	H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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:	135.048427358
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.048427358
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1