Tetrafluoroisophthalonitrile - CAS 2377-81-3

Catalog:	BB054759
Product Name:	Tetrafluoroisophthalonitrile
CAS:	2377-81-3
Synonyms:	2,4,5,6-Tetrafluoroisophthalonitrile; 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrafluoro-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile
Molecular Weight:	200.09
Molecular Formula:	C8N2F4
Canonical SMILES:	C(#N)C1=C(C(=C(C(=C1F)F)F)C#N)F
InChI:	InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
InChI Key:	WVHMPQKZPHOCRD-UHFFFAOYSA-N
Boiling Point:	212.5°C at 760 mmHg
Melting Point:	78-79 °C
Density:	1.54 g/cm3

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Related Functional Groups

Arenes

[58287-18-6]
(1R)-1-(4-Nitrophenyl)ethanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[81574-05-2]
N-Benzyl-1-methyl-1H-pyrazol-3-amine
[1429417-80-0]
N-Benzyl-1-methyl-4-nitro-1H-pyrazol-3-amine

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
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[452-76-6]
2,4-Difluorotoluene

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	284
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8