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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 1,3-DIMETHYL-5-NITROBENZENE

SMILES

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

InChI

InChIKey=BYFNZOKBMZKTSC-UHFFFAOYSA-N
InChI=1S/C8H9NO2/c1-6-3-7(2)5-8(4-6)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

PubMed

PubMed

TitleDatePubMed
Investigation of the structural and harmonic vibrational properties of 2-nitro-, 4-nitro- and 5-nitro-m-xylene by ab initio and density functional theory.
2009-10-15
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:34:26 GMT 2025
Edited
by admin
on Mon Mar 31 20:34:26 GMT 2025
Record UNII
5HVW2QTF0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIMETHYL-5-NITROBENZENE
Systematic Name English
NSC-5403
Preferred Name English
5-NITRO-M-XYLENE
Systematic Name English
1-NITRO-3,5-DIMETHYLBENZENE
Systematic Name English
5-METHYL-3-NITROTOLUENE
Systematic Name English
3,5-DIMETHYL-1-NITROBENZENE
Systematic Name English
3,5-DIMETHYLNITROBENZENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7025136
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-732-8
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY
NSC
5403
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY
CAS
99-12-7
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY
FDA UNII
5HVW2QTF0D
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY
PUBCHEM
7426
Created by admin on Mon Mar 31 20:34:26 GMT 2025 , Edited by admin on Mon Mar 31 20:34:26 GMT 2025
PRIMARY