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ChemicalBook--->CAS DataBase List--->606-20-2

606-20-2

606-20-2 Structure

606-20-2 Structure
IdentificationMore
[Name]

2,6-Dinitrotoluene
[CAS]

606-20-2
[Synonyms]

1,3-Dinitro 2-methyl benzene
2,6-DINITROTOLUENE
1-Methyl-2,6-dinitrobenzene
2,6-dinitro-toluen
2,6-Dnt
2-methyl-1,3-dinitro-benzen
2-methyl-1,3-dinitrobenzene
2-Methyl-1,3-dinitro-benzene
Rcra waste number U106
rcrawastenumberu106
Toluene, 2,6-dinitro-
toluene,2,6-dinitro-
2,6-DINITROTOLUENE MOISTENED WITH WATER (H2O ~10%)
2,6-DINITROTOLUENE, 1000MG, NEAT
2,6-DINITROTOLUENE, 1X1ML, MEOH, 5000UG/ ML
2,6-DINITROTOLUENE OEKANAL, 250 MG
2,6-Dinitrotoluene,~99%
2,6-Dinitrotoluene,97%
2,6-dinitrotoluene solution
2,4-/2,6-DINITROTOLUENEMIXTURE
[EINECS(EC#)]

210-106-0
[Molecular Formula]

C7H6N2O4
[MDL Number]

MFCD00007158
[Molecular Weight]

182.13
[MOL File]

606-20-2.mol
Chemical PropertiesBack Directory
[Appearance]

tan crystals
[Melting point ]

56-61 °C(lit.)
[Boiling point ]

300°C
[density ]

1.2833
[vapor pressure ]

3.5(x 10-4 mmHg) at 20 °C (quoted, Howard, 1989)5.67(x 10-4 mmHg) at 25 °C (Banerjee et al., 1990)
[refractive index ]

1.4790
[Fp ]

207°C
[storage temp. ]

2-8°C
[solubility ]

Soluble in ethanol (Weast, 1986) and many other organic solvents including chloroform and carbon tetrachloride.
[Stability:]

Stable, but shock sensitive. Incompatible with oxidizing agents, reducing agents, strong bases. Heating may cause explosion.
[Water Solubility ]

0.0182 g/100 mL
[Detection Methods]

GC,NMR
[BRN ]

2052046
[CAS DataBase Reference]

606-20-2(CAS DataBase Reference)
[IARC]

2B (Vol. 65) 1996
[NIST Chemistry Reference]

Benzene, 2-methyl-1,3-dinitro-(606-20-2)
[EPA Substance Registry System]

606-20-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,F
[Risk Statements ]

R45:May cause cancer.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R62:Possible risk of impaired fertility.
R68:Possible risk of irreversible effects.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 3454 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

XT1925000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29049090
[Safety Profile]

Poison by ingestion. A skin irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 2,4-DINITROTOLUENE
[Hazardous Substances Data]

606-20-2(Hazardous Substances Data)
[Toxicity]

Acute oral LD50 for mice 621 mg/kg, rats 177 mg/kg (quoted, RTECS, 1985).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Nitrotoluene-->2,4-Dinitrotoluene
[Preparation Products]

4-Hydroxyindole-->2-Amino-6-methoxybenzoic acid-->2-AMINO-6-IODOTOLUENE-->2,3-DINITROTOLUENE-->toluene-3,5-diamine
Hazard InformationBack Directory
[General Description]

Yellow to red solid or heated liquid with a slight odor. Solidifies in cool water. Solid and liquid sink in water.
[Reactivity Profile]

2,6-DINITROTOLUENE(606-20-2) is sensitive to heat. 2,6-DINITROTOLUENE(606-20-2) may explode when exposed to heat or flame. 2,6-DINITROTOLUENE(606-20-2) can be detonated only by a very strong initiator. This chemical is incompatible with strong oxidizers. 2,6-DINITROTOLUENE(606-20-2) is also incompatible with caustics and metals such as tin and zinc. 2,6-DINITROTOLUENE(606-20-2) may react with reducing agents. 2,6-DINITROTOLUENE(606-20-2) will attack some forms of plastics, rubber and coatings.
[Air & Water Reactions]

Mixes slowly with water. Insoluble in water.
[Health Hazard]

INHALATION, INGESTION OR SKIN ABSORPTION: Headache, weakness, nausea or dizziness, cyanosis, drowsiness, shortness of breath and collapse. Can burn eyes and skin.
[Chemical Properties]

2,6-Dinitrotoluene is one of the six dinitrotoluene isomers. Dinitrotoluene (DNT) or Dinitro is an explosive with the formula C6H3(CH3)(NO2)2. At room temperature it is a pale yellow to orange crystalline solid. It is a high explosive and one of the precursors for trinitrotoluene (TNT), which is synthesized through three separate nitrations of toluene. The first product is mononitrotoluene, DNT is the second, and TNT is the third and final product.
[Physical properties]

Pale yellow, orange, brown or reddish rhombic crystals. Odor threshold concentration in water is 100 ppb (quoted, Keith and Walters, 1992).
[Uses]

2,6-Dinitrotoluene is used primarily, along with the other isomers, in producing toluene diisocyanate; production of the diisocyanate ranges from 100 million to almost a billion pounds each year.
[Uses]

Organic synthesis; propellant additive; manufacture of explosives; intermediate in the manufacture of polyurethanes.
[Definition]

ChEBI: 2,6-dinitrotoluene is a dinitrotoluene carrying nitro substituents at positions 2 and 6. It has a role as a genotoxin.
[Environmental Fate]

Biological. When 2,6-dinitrotoluene was statically incubated in the dark at 25 °C with yeast extract and settled domestic wastewater inoculum, significant biodegradation with gradual acclimation was followed by deadaptive process in subsequent subcultures. At a concentration of 5 mg/L, 82, 55, 47, and 29% losses were observed after 7, 14, 21, and 28-d incubation periods, respectively. At a concentration of 10 mg/L, only 57, 49, 35, and 13% were observed after 7, 14, 21, and 28-d incubation periods, respectively (Tabak et al., 1981). Under anaerobic and aerobic conditions, a sewage inoculum degraded 2,6-dinitrotoluene to aminonitrotoluene (Hallas and Alexander, 1983).
Photolytic. Simmons and Zepp (1986) estimated the photolytic half-life of 2,6-dinitrotoluene in surface water to range from 2 to 17 h.
Low et al. (1991) reported that the nitro-containing compounds (e.g., 2,4-dinitrophenol) undergo degradation by UV light in the presence of titanium dioxide yielding ammonium, carbonate, and nitrate ions. By analogy, 2,6-dinitrotoluene should degrade forming identical ions.
Chemical/Physical. 2,6-Dinitrotoluene will not hydrolyze (Kollig, 1993).
At influent concentrations of 1.0, 0.1, 0.01, and 0.001 mg/L, the GAC adsorption capacities were 145, 70, 33, and 16 mg/g, respectively (Dobbs and Cohen, 1980).
[Metabolic pathway]

2-Amino-6-nitrotoluene, 2,6-dinitrobenzyl alcohol, 2- amino-6-nitrobenzyl alcohol, and the conjugates of the latter two alcohols are detected in the urine of male Wistar rats as metabolites of 2,6-dinitrotoluene (2,6- DNT). In addition to the metabolites identified in the urine, 2,6-dinitrobenzaldehyde is detected in the rat bile. Incubation of 2,6-DNT with a hepatic microsomal preparation gives 2,6-dinitrobenzyl alcohol. Incubation of benzyl alcohol with a microsomal plus cytosol preparation gives 2,6-dinitrobenzaldehyde, and incubation of 2,6-dinitrobenzaldehyde with cytosol preparations gives 2,6-dinitrobenzyl alcohol and 2,6- dinitrobenzoic acid.
[Purification Methods]

Crystallise it from acetone. EXPLOSIVE when dry.[Beilstein 5 III 761, 5 IV 866.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Dinitrotoluene(606-20-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dinitrotoluene(606-20-2)MS
2,6-Dinitrotoluene(606-20-2)1HNMR
2,6-Dinitrotoluene(606-20-2)13CNMR
2,6-Dinitrotoluene(606-20-2)IR1
2,6-Dinitrotoluene(606-20-2)IR2
2,6-Dinitrotoluene(606-20-2)Raman
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