U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2O4
Molecular Weight 196.1601
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-1,3-DINITROBENZENE

SMILES

CCC1=C(C=CC=C1[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=SWASTJCUMFALOW-UHFFFAOYSA-N
InChI=1S/C8H8N2O4/c1-2-6-7(9(11)12)4-3-5-8(6)10(13)14/h3-5H,2H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2,6-DINITROETHYLBENZENE
Preferred Name English
2-ETHYL-1,3-DINITROBENZENE
Systematic Name English
BENZENE, 2-ETHYL-1,3-DINITRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
84131
Created by admin on Tue Apr 01 20:23:58 GMT 2025 , Edited by admin on Tue Apr 01 20:23:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-777-2
Created by admin on Tue Apr 01 20:23:58 GMT 2025 , Edited by admin on Tue Apr 01 20:23:58 GMT 2025
PRIMARY
FDA UNII
R7KU3U5TSZ
Created by admin on Tue Apr 01 20:23:58 GMT 2025 , Edited by admin on Tue Apr 01 20:23:58 GMT 2025
PRIMARY
CAS
13985-56-3
Created by admin on Tue Apr 01 20:23:58 GMT 2025 , Edited by admin on Tue Apr 01 20:23:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID30161178
Created by admin on Tue Apr 01 20:23:58 GMT 2025 , Edited by admin on Tue Apr 01 20:23:58 GMT 2025
PRIMARY