2,4,5-Trichloroaniline CAS#: 636-30-6; ChemWhat Code: 23435
Identification
| Product Name | 2,4,5-Trichloroaniline |
| IUPAC Name | 2,4,5-trichloroaniline |
| Molecular Structure |  |
| CAS Registry Number | 636-30-6 |
| EINECS Number | No data available |
| MDL Number | MFCD00007662 |
| Beilstein Registry Number | No data available |
| Synonyms | 2,4,5-trichloroaniline, 1-amino-2,4,5-trichlorobenzene, 2,4,5-Trichloroaniline, 2,4,5-trichlorobenzenamine, 2,4,5-trichlorophenylamine, 2, 4, 5-trichloroaniline, 2,4,5-tri-chloroaniline |
| Molecular Formula | Cl3C6H2NH2 |
| Molecular Weight | 196.46 |
| InChI | InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChI Key | GUMCAKKKNKYFEB-UHFFFAOYSA-N |
| Canonical SMILES | c1c(c(cc(c1Cl)Cl)Cl)N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2014/80862 | ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF | 2014 |
| WO2007/52000 | PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION | 2007 |
| US4288362 | Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component | 1981 |
| US2002/55619 | Preparation of 2,4,5-trichlorophenol and 2,4,5-trichlorophenoxyacetic acid free of 2,3,7,8-tetrachloro-dibenzo-p-dioxin contamination | 2002 |
| US2002/55619 | Process for preparing azo colorants | 2002 |
Physical Data
| Appearance | Light yellLight yellow needle crystal |
| Solubility | 0.094 g/L (15 ºC) |
| Flash Point | 175 ºC |
| Refractive index | 1.6300 (estimate) |
| Melting Point, °C | Solvent (Melting Point) |
| 93 | methanol, H2O |
| 227 – 229 | |
| 92 – 94 | ethanol |
| 95 – 96 | ethanol |
| 95.5 – 96 | aq. ethanol |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 270 | 760 |
| 262 |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Partner (Association (MCS)) |
| Association with compound | CCl4 | 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| Chemical shifts | 1H | CDCl3 |
| Chemical shifts | 1H | CCl4 |
| Chemical shifts | 15N | benzene-d6 |
| Chemical shifts | 1H | dimethylsulfoxide-d6, CCl4 |
| Chemical shifts | 1H | hexamethylphosphoric acid triamide, CCl4 |
| Chemical shifts | 13C | CCl4, CDCl3 |
| Description (IR Spectroscopy) |
| Bands |
| IR |
| Description (Mass Spectrometry) |
| GCMS (Gas chromatography mass spectrometry), Spectrum |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm |
| Absorption maxima | H2O, H2SO4 | 536 | |
| UV/VIS | |||
| Spectrum | ethanol | 220 – 330 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: 2,4,5-trichloroaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.25h; Stage #2: With sodium azide In water at 0 – 20℃; for 16h; | 91% |
| Multi-step reaction with 2 steps 1.1: sulfuric acid / 1,4-dioxane / -15 °C 1.2: -15 °C 2.1: sodium azide / 1,4-dioxane / -15 °C | |
| Stage #1: 2,4,5-trichloroaniline With hydrogenchloride In water at 20℃; Stage #2: With sodium nitrite In water at 0℃; for 0.166667h; Stage #3: With sodium azide In water at 20℃; for 2h; |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (99.5%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (81.19%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (99.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P311, P312, P314, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Class 6.1; Packaging Group: III; UN Number: 2811 |
| Under the room temperature and away from light | |
| HS Code | 292142 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Use Pattern |
| 2,4,5-Trichloroaniline CAS#: 636-30-6 used in the synthesis of pesticides. |
| 2,4,5-Trichloroaniline CAS#: 636-30-6 used in the synthesis of medicines. |
| 2,4,5-Trichloroaniline CAS#: 636-30-6 used in the synthesis of dyes. |
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