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

Name: 2-Fluoro-5-methylbenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride
[1328640-88-5]C7H9F2N3O3
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[672-45-7]C5H3F3N2O2
6-(Trifluoromethyl)uracil
[2252403-82-8]C16H14ClFN4O2
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-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

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

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