| Identification | More | [Name]
3,4,5-Trichloronitrobenzene | [CAS]
20098-48-0 | [Synonyms]
1,2,3-TRICHLORO-5-NITROBENZENE
3,4,5-trichloro-1-nitrobenzene
3,4,5-TRICHLORONITROBENZENE
5-NITRO-1,2,3-TRICHLOROBENZENE
Benzene,1,2,3-trichloro-5-nitro-
3,4,5-DICHLORONITROBENZENE
3,4,5-Trichlornitrobenzol | [EINECS(EC#)]
243-511-6 | [Molecular Formula]
C6H2Cl3NO2 | [MDL Number]
MFCD00061096 | [Molecular Weight]
226.44 | [MOL File]
20098-48-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
68-71 °C (lit.) | [Boiling point ]
288°C (rough estimate) | [density ]
1.8070 | [refractive index ]
1.6300 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [color ]
Pale Orange | [Water Solubility ]
<0.1 g/100 mL at 15 ºC | [BRN ]
2505480 | [InChI]
InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H | [InChIKey]
HHLCSFGOTLUREE-UHFFFAOYSA-N | [SMILES]
C1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1Cl | [CAS DataBase Reference]
20098-48-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,2,3-trichloro-5-nitro-(20098-48-0) | [EPA Substance Registry System]
20098-48-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
2811 | [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [General Description]
Pale-yellow crystals or yellow crystalline solid. | [Reactivity Profile]
This type of compound is incompatible with strong bases and strong oxidizing agents. . | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
Flash point data for this compound are not available; however, 3,4,5-TRICHLORONITROBENZENE is probably combustible. | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3,4,5-Trichloronitrobenzene a reagent, used in the synthesis of INT131, a PPARγ molecule that regulates insulin sensitivity. Also is used in the synthesis of thyroid hormone receptor β selective ligan
ds that are used in hormone treatments. |
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