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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9NO2
Molecular Weight 151.1626
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITRO-P-XYLENE

SMILES

CC1=CC=C(C)C(=C1)[N+]([O-])=O

InChI

InChIKey=BSFHJMGROOFSRA-UHFFFAOYSA-N
InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H9NO2
Molecular Weight 151.1626
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:52:36 GMT 2025
Edited
by admin
on Mon Mar 31 18:52:36 GMT 2025
Record UNII
H2AU67681F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITRO-P-XYLENE
Common Name English
NSC-5591
Preferred Name English
DIMETHYL-2-NITROBENZENE, 1,4-
Systematic Name English
2,5-DIMETHYL-1-NITROBENZENE
Systematic Name English
2-NITRO-1,4-DIMETHYLBENZENE
Systematic Name English
1-NITRO-2,5-DIMETHYLBENZENE
Systematic Name English
1,4-DIMETHYL-2-NITROBENZENE
Systematic Name English
1,4-DIMETHYLNITROBENZENE
Systematic Name English
BENZENE, 1,4-DIMETHYL-2-NITRO-
Systematic Name English
2,5-DIMETHYLNITROBENZENE
Systematic Name English
P-XYLENE, 2-NITRO-
Systematic Name English
2-NITRO-P-XYLENE
Common Name English
Code System Code Type Description
PUBCHEM
6974
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID2025137
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY
NSC
5591
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-920-7
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY
CAS
89-58-7
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY
FDA UNII
H2AU67681F
Created by admin on Mon Mar 31 18:52:36 GMT 2025 , Edited by admin on Mon Mar 31 18:52:36 GMT 2025
PRIMARY