2,4,6-TRINITROTOLUENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SPSSULHKWOKEEL-UHFFFAOYSA-N

InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula	C7H5N3O6
Molecular Weight	227.1311
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Explosive biodegradation in soil slurry batch reactors amended with exogenous microorganisms.	2001	11381919
Effect of photosensitizer riboflavin on the fate of 2,4,6-trinitrotoluene in a freshwater environment.	2001 Aug	11482649
Biotransformation and partial mineralization of the explosive 2,4,6-trinitrotoluene (TNT) by rhizobia.	2001 Jun	11467731
Polymorphism in 2,4,6-trinitrotoluene crystallized from solution.	2001 Mar 14	11456877
Ecotoxicological effects of hexahydro-1,3,5-trinitro-1,3,5-triazine on soil microbial activities.	2001 May	11337882
Development of adsorptive removal process for treatment of explosives contaminated wastewater using activated carbon.	2001 Oct 12	11566402
Screening method for nitroaromatic compounds in water based on solid-phase microextraction and infrared spectroscopy.	2001 Sep 1	11563654
Short pulse laser mass spectrometry of nitrotoluenes: ionization and fragmentation behavior.	2002	11857729
Catalytic oxidation of TNT by activated carbon.	2002 Apr	11996152
Characterization and origin identification of 2,4,6-trinitrotoluene through its by-product isomers by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.	2002 Feb 8	11873961
Percutaneous absorption of explosives and related compounds: an empirical model of bioavailability of organic nitro compounds from soil.	2002 Jul 15	12140179
Evaluation of tissue and cellular biomarkers to assess 2,4,6-trinitrotoluene (TNT) exposure in earthworms: effects-based assessment in laboratory studies using Eisenia andrei.	2002 Jul-Aug	12171758
Enzymatic transformation and binding of labeled 2,4,6-trinitrotoluene to humic substances during an anaerobic/aerobic incubation.	2002 Mar-Apr	11931431
Dissolution rates of three high explosive compounds: TNT, RDX, and HMX.	2002 May	12079068
TNT, RDX, and HMX decrease earthworm (Eisenia andrei) life-cycle responses in a spiked natural forest soil.	2002 Nov	12399908
Ecotoxicological evaluation of in situ bioremediation of soils contaminated by the explosive 2,4,6-trinitrotoluene (TNT).	2003	12475067
Transformation and mineralization of 2,4,6-trinitrotoluene by the white rot fungus Irpex lacteus.	2003 Apr	12655457
Stimulating the anaerobic biodegradation of explosives by the addition of hydrogen or electron donors that produce hydrogen.	2003 Aug	12834743
Biodegradation pathways of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by Clostridium acetobutylicum cell-free extract.	2003 Feb	12685743
The USACHPPM gas chromatographic procedures for the analysis of waters and soils for energetics and related compounds.	2003 Feb	12639254
Analysis of aqueous 2,4,6-trinitrotoluene (TNT) using a fluorescent displacement immunoassay.	2003 Feb	12610696
Phytotoxicity of 2,4,6-trinitrotoluene (TNT) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in spiked artificial and natural forest soils.	2003 Feb	12520392
Microchip capillary electrophoresis coupled with a boron-doped diamond electrode-based electrochemical detector.	2003 Feb 15	12622387
Trace analysis of explosives in soil: pressurized fluid extraction and gas and liquid chromatography-mass spectrometry.	2003 Jul	12935298
2,4,6-Trinitrotoluene detection using recombinant antibodies.	2003 Jun	12833979
Degradation of 2,4,6-trinitrotoluene by immobilized horseradish peroxidase and electrogenerated peroxide.	2003 Mar	12553973
Potassium ferrate [Fe(VI)] does not mediate self-sterilization of a surrogate Mars soil.	2003 Mar 6	12694634
[Specific toxic effects of 2,4,6-trinitrotoluene on Bacillus subtilis SK1].	2003 May-Jun	12754829
Effects of 2-amino-4,6-dinitrotoluene on p53 tumor suppressor gene expression.	2003 Oct	14577614
Enhancing Fenton oxidation of TNT and RDX through pretreatment with zero-valent iron.	2003 Oct	12946911
Detection of 2,4,6-trinitrotoluene in environmental samples using a homogeneous fluoroimmunoassay.	2003 Oct 15	14594385
Determination of nitroaromatic compounds in air samples at femtogram level using C18 membrane sampling and on-line extraction with LC-MS.	2003 Sep 1	14632075
HPLC-MS investigations of acidic contaminants in ammunition wastes using volatile ion-pairing reagents (VIP-LC-MS).	2004 Feb	14513197
Microbiological changes during bioremediation of explosives-contaminated soils in laboratory and pilot-scale bioslurry reactors.	2004 Jan	14592740
Diversity of contaminant reduction reactions by zerovalent iron: role of the reductate.	2004 Jan 1	14740729
A kinetic model of aqueous-phase alkali hydrolysis of 2,4,6-trinitrotoluene.	2004 Jan 2	14693437

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:58:59 GMT 2023` Edited by `admin` on `Fri Dec 15 18:58:59 GMT 2023`
Record UNII	H43RF5TRM5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-TRINITROTOLUENE

Systematic Name

English

TRINITROTOLUENE, 2,4,6-

Systematic Name

English

TNT

Common Name

English

SYM-TRINITROTOLUENE

Common Name

English

1-METHYL-2,4,6-TRINITROBENZENE

Systematic Name

English

2,4,6-TRINITROTOLUENE [IARC]

Common Name

English

NSC-36949

Code

English

2,4,6-TNT

Common Name

English

2,4,6-TRINITROTOLUENE [MI]

Common Name

English

TRINITROTOLUENE [HSDB]

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

204-289-6