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1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)

1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) - CAS 7221-63-8

Name: 1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034574
Product Name:	1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)
CAS:	7221-63-8
Synonyms:	5,6-dihydrotriazolo[4,5-f]benzotriazole; 5,6-dihydrotriazolo[4,5-f]benzotriazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,6-dihydrotriazolo[4,5-f]benzotriazole
Description:	1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole) (CAS# 7221-63-8 ) is a useful research chemical.
Molecular Weight:	160.14
Molecular Formula:	C6H4N6
Canonical SMILES:	C1=C2C(=NNN2)C=C3C1=NN=N3
InChI:	InChI=1S/C6H4N6/c1-3-5(9-11-7-3)2-6-4(1)8-12-10-6/h1-2,7,11H
InChI Key:	CQHFYDYTMUPITM-UHFFFAOYSA-N
LogP:	0.22920

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Related Functional Groups

Benzotriazoles

[5933-29-9]C7H6N4O
Benzotriazole-1-carboxamide
[7221-63-8]C6H4N6
1,5-Dihydrobenzo[1,2-d:4,5-d']bis([1,2,3]triazole)
[1033464-75-3]C7H6ClN3O2S
2-Methyl-2H-benzotriazole-4-sulfonyl chloride
[1823790-58-4]C12H16N4O2
6-(Boc-aminomethyl)-1,2,3-benzotriazole
[1242336-69-1]C6H3BrFN3
6-Bromo-5-fluorobenzotriazole
[26198-19-6]C6H4ClN3O
6-Chloro-1-hydroxibenzotriazol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021022224-A1	Compounds, pharmaceutical compositions, and methods of their use in the inhibition of interaction between il18 and il18r	20190801
WO-2019238567-A1	Liquid crystalline medium	20180611
US-2019203118-A1	Benzotriazole derivatives as corrosion inhibitors	20180103
WO-2019135991-A1	Benzotriazole derivatives as corrosion inhibitors	20180103
US-10858585-B2	Benzotriazole derivatives as corrosion inhibitors	20180103

Complexity:	396
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.04974415
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.04974415
Rotatable Bond Count:	0
Topological Polar Surface Area:	73.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5