Tetrafluoroterephthalonitrile - CAS 1835-49-0

Catalog:	BB014065
Product Name:	Tetrafluoroterephthalonitrile
CAS:	1835-49-0
Synonyms:	2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
Description:	Tetrafluoroterephthalonitrile (CAS# 1835-49-0) is a useful research chemical.
Molecular Weight:	200.09
Molecular Formula:	C8F4N2
Canonical SMILES:	C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
InChI:	InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChI Key:	PCRSJGWFEMHHEW-UHFFFAOYSA-N
Boiling Point:	243.3 °C at 760 mmHg
Density:	1.54 g/cm³
Appearance:	White to yellow to yellow-green powder or crystals
MDL:	MFCD00001776
LogP:	1.98636

Publication Number	Title	Priority Date
CN-113429765-A	Degradable PLA/PIM-1 air-conditioning film and preparation method and application thereof	20210616
CN-113307990-A	Composite material and preparation method and application thereof	20210609
CN-113289589-A	Benzene ring modified beta-cyclodextrin gel adsorbent, preparation method and application thereof	20210528
CN-113299971-A	Lithium ion battery and application thereof	20210520
CN-113299972-A	Lithium ion battery and application thereof	20210520

PMID	Publication Date	Title	Journal
21706644	20090420	Copolymers of Intrinsic Microporosity Based on 2,2',3,3'-Tetrahydroxy-1,1'-dinaphthyl	Macromolecular rapid communications
14581753	20031101	Simultaneous variation of multipole parameters and Gram-Charlier coefficients in a charge-density study of tetrafluoroterephthalonitrile based on X-ray and neutron data	Acta crystallographica. Section A, Foundations of crystallography
14558834	20031022	Selective oxygenation of ring-substituted toluenes with electron-donating and -withdrawing substituents by molecular oxygen via photoinduced electron transfer	Journal of the American Chemical Society

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Related Functional Groups

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Nitrogen Compounds

[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
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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Other Pyrimidines

[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
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Ethyl 4-fluorobenzoate
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H301 (97.62%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.99976066
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.99976066
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8