1,2,4,5-Tetracyanobenzene - CAS 712-74-3

Name: 1,2,4,5-Tetracyanobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034347
Product Name:	1,2,4,5-Tetracyanobenzene
CAS:	712-74-3
Synonyms:	benzene-1,2,4,5-tetracarbonitrile

Technical Data

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Computed Properties

IUPAC Name:	benzene-1,2,4,5-tetracarbonitrile
Description:	1,2,4,5-Tetracyanobenzene (CAS# 712-74-3) is a useful research chemical.
Molecular Weight:	178.15
Molecular Formula:	C10H2N4
Canonical SMILES:	C1=C(C(=CC(=C1C#N)C#N)C#N)C#N
InChI:	InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChI Key:	FAAXSAZENACQBT-UHFFFAOYSA-N
Boiling Point:	446.1 °C at 760 mmHg
Purity:	> 98.0 % (LC) (N)
Density:	1.37 g/cm³
Appearance:	White to light yellow crystalline powder
MDL:	MFCD00043481
LogP:	1.17332

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113363628-A	Electrolyte for aluminum air battery and preparation method thereof	20210603
CN-113299971-A	Lithium ion battery and application thereof	20210520
CN-113299972-A	Lithium ion battery and application thereof	20210520
CN-112979538-A	Preparation method of nisoldipine impurity	20210303
CN-113013489-A	Electrolyte and lithium ion battery comprising same	20210225

PMID	Publication Date	Title	Journal
22689535	20120901	Nanoindentation as a probe for mechanically-induced molecular migration in layered organic donor-acceptor complexes	Chemistry, an Asian journal
21319859	20110310	The effects of photochemical and mechanical damage on the excited state dynamics of charge-transfer molecular crystals composed of tetracyanobenzene and aromatic donor molecules	The journal of physical chemistry. A
19504535	20090713	Dynamic molecular tweezers composed of dibenzocyclooctatetraene units: synthesis, properties, and thermochromism in host-guest complexes	Chemistry (Weinheim an der Bergstrasse, Germany)
19260688	20090602	Gemini-like molecular clips and tweezers: the influence of structure and guest binding on interfacial tension	Langmuir : the ACS journal of surfaces and colloids
19492114	20090601	2,5-Dimethyl-2,4-hexadiene induced photodechlorination of 9,10-dichloroanthracene	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology

Complexity:	332
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.027946081
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.027946081
Rotatable Bond Count:	0
Topological Polar Surface Area:	95.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8