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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N2O4
Molecular Weight 182.1335
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DINITROTOLUENE

SMILES

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

InChI

InChIKey=INYDMNPNDHRJQJ-UHFFFAOYSA-N
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C7H6N2O4
Molecular Weight 182.1335
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Gas chromatography positive chemical ionization and tandem mass spectrometry for the analysis of organic high explosives.
2005-08-15
The response of adult rat sertoli cells, immortalized by a temperature-sensitive mutant of SV40, to 1,2-dinitrobenzene, 1,3-dinitrobenzene, 2,4-dinitrotoluene, 3,4-dinitrotoluene, and cadmium.
2003-04
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:40:28 GMT 2025
Edited
by admin
on Mon Mar 31 19:40:28 GMT 2025
Record UNII
V6PS4L6ZHT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-52216
Preferred Name English
3,4-DINITROTOLUENE
HSDB  
Systematic Name English
1-METHYL-3,4-DINITROBENZENE
Systematic Name English
5-METHYL-1,2-DINITROBENZENE
Systematic Name English
DINITROTOLUENE, 3,4-
Systematic Name English
3,4-DINITROTOLUENE [HSDB]
Common Name English
4-METHYL-1,2-DINITROBENZENE
Systematic Name English
BENZENE, 4-METHYL-1,2-DINITRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID8027240
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
PRIMARY
CHEBI
142285
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
PRIMARY
PUBCHEM
11883
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
PRIMARY
CAS
610-39-9
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
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SMS_ID
300000053016
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
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HSDB
5501
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
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ECHA (EC/EINECS)
210-222-1
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
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FDA UNII
V6PS4L6ZHT
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
PRIMARY
NSC
52216
Created by admin on Mon Mar 31 19:40:28 GMT 2025 , Edited by admin on Mon Mar 31 19:40:28 GMT 2025
PRIMARY