O-PHTHALODINITRILE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H4N2
Molecular Weight	128.1308
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-PHTHALODINITRILE

SMILES

N#CC1=C(C=CC=C1)C#N

InChI

InChIKey=XQZYPMVTSDWCCE-UHFFFAOYSA-N

InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

HIDE SMILES / InChI

Molecular Formula	C8H4N2
Molecular Weight	128.1308
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Iodo(phthalocyaninato)chromium(III).	2001 Aug	11498614
[Phthalocyaninato(2-)]antimony(III) chloride.	2001 Jan	11173397
Tetrakis[phthalocyaninato(2-)antimony(III)] hexadecaiodotetraantimony(III).	2002 Jan	11781461
Synthesis and electrochemical and photophysical studies of tetrathiafulvalene-annulated phthalocyanines.	2005 Jun 24	15960496
Cd(II), Zn(II), and Pd(II) complexes of an isoindoline pincer ligand: consequences of steric crowding.	2005 Sep 5	16124830

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Substance Class	Chemical
Record UNII	978627YAJU
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

O-PHTHALODINITRILE

Common Name

English

1,2-BENZENEDICARBONITRILE [HSDB]

Common Name

English

1,2-BIS(CYANO)BENZENE

Systematic Name

English

O-DICYANOBENZENE

Common Name

English

O-CYANOBENZONITRILE

Common Name

English

Showing 1 to 5 of 13 entries

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Show entries

Code System

Code

Type

Description

EPA CompTox

DTXSID8029604

PRIMARY

ECHA (EC/EINECS)

202-044-8

PRIMARY

NSC

17562

PRIMARY

FDA UNII

978627YAJU

PRIMARY

HSDB

5273

PRIMARY

Showing 1 to 5 of 8 entries

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