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

[15522-59-5]
Tetrabutylammonium tetraphenylborate
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[605-02-7]
1-Phenylnaphthalene
[1198396-39-2]
2-bromo-11,11-dimethyl-11H-Benzo[b]fluorene
[59227-81-5]
Ethyl 2-(2-chlorophenoxy)-2-methylpropanoate

Fluorinated Building Blocks

[1946823-77-3]
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[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
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2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene

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
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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