4-amino-2-(trifluoromethyl)benzonitrile (Q27282680)

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

chemical formula

C₈H₅F₃N₂

1 reference

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

canonical SMILES

C1=CC(=C(C=C1N)C(F)(F)F)C#N

1 reference

4-Amino-2-(trifluoromethyl)benzonitrile (English)

Jean-Claude Bradley Open Melting Point Dataset

14 October 2016

melting point

138.0 degree Celsius

1 reference

stated in

Identifiers

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2

1 reference

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

1 reference

Global Substance Registration System

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

2 references

UNII

L47D9XHC08

4-amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=654-70-6

8 April 2021

1 reference

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

2 references

4-Amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016

SureChEMBL ID

SCHEMBL110567

2 references

based on heuristic

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20208210

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID80215711

2 references

stated in

DSSTOX compound identifier

DTXCID10138202

0 references

EC number

613-800-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.239.245

27 December 2018

ECHA Substance Infocard ID

Benzonitrile, 4-amino-2-(trifluoromethyl)- (English)

quotation

CAS no.: 654-70-6 (English)

0 references

2 references

Global Substance Registration System

UNII

L47D9XHC08

4-amino-2-(trifluoromethyl)benzonitrile (English)

14 October 2016