2-Fluoro-6-(trifluoromethyl)phenylacetonitrile - CAS 179946-34-0

Name: 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013622
Product Name:	2-Fluoro-6-(trifluoromethyl)phenylacetonitrile
CAS:	179946-34-0
Synonyms:	2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-[2-fluoro-6-(trifluoromethyl)phenyl]acetonitrile
Description:	2-Fluoro-6-(trifluoromethyl)phenylacetonitrile (CAS# 179946-34-0) is a useful research chemical.
Molecular Weight:	203.14
Molecular Formula:	C9H5F4N
Canonical SMILES:	C1=CC(=C(C(=C1)F)CC#N)C(F)(F)F
InChI:	InChI=1S/C9H5F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3H,4H2
InChI Key:	SFLYZUWDTDYATN-UHFFFAOYSA-N
Boiling Point:	229 °C (lit.)
Purity:	95 %
Density:	1.363 g/cm³
MDL:	MFCD00061184
LogP:	2.91058

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Related Functional Groups

Fluorinated Building Blocks

[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]C7H6F2
2,4-Difluorotoluene

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[5071-96-5]C8H11NO
3-Methoxybenzylamine
[7492-88-8]C6H10N2
3-piperidinecarbonitrile
[1256633-32-5]C5HN3O
4,5-Isoxazoledicarbonitrile

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine

GHS Hazard Statement:	H302 (100%): 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
DE-102018201548-A1	Electrolytic composition for electrochemical cell for high temperature applications	20180201
WO-2019149812-A1	Electrolyte composition for electrochemical cell for high-temperature applications	20180201
AU-2018251087-A1	Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof	20170410
AU-2018251758-A1	Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410
CA-3059273-A1	Substituted n-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.03581181
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.03581181
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6