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| | 4-Chloro-2-nitrotoluene Basic information |
| | 4-Chloro-2-nitrotoluene Chemical Properties |
| Melting point | 34-38 °C (lit.) | | Boiling point | 239-240 °C/718 mmHg (lit.) | | density | 1.2559 | | refractive index | 1.5570 (estimate) | | Fp | >230 °F | | storage temp. | Store below +30°C. | | form | powder to lump to clear liquid | | color | White or Colorless to Yellow | | Water Solubility | 109 mg/L (20 ºC) | | BRN | 2046651 | | InChI | InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3 | | InChIKey | SQFLFRQWPBEDHM-UHFFFAOYSA-N | | SMILES | C1(C)=CC=C(Cl)C=C1[N+]([O-])=O | | CAS DataBase Reference | 89-59-8(CAS DataBase Reference) | | NIST Chemistry Reference | 4-Chloro-2-nitrotoluene(89-59-8) | | EPA Substance Registry System | Benzene, 4-chloro-1-methyl-2-nitro- (89-59-8) |
| Hazard Codes | Xi,Xn,N | | Risk Statements | 36/37/38-20/21/22-52/53 | | Safety Statements | 26-36-36/37/39-61 | | RIDADR | UN 3457 6.1/PG 3 | | WGK Germany | 2 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29049090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects |
| | 4-Chloro-2-nitrotoluene Usage And Synthesis |
| Chemical Properties | clear brown liquid after melting | | Uses | 4-Chloro-1-methyl-2-nitrobenzene is used in the synthesis of NMDA-glycine antagonists. Also it is used in the preparation of COX-2 inhibitor. | | Uses | 4-Chloro-2-nitrotoluene can be used in the synthesis of indigo dye. | | Production Methods | 4-Chlorotoluene is nitrated with mixed acid (39/59/2) at 25 ℃ to give a mixture of 4-Chloro-2-nitrotoluene (65 %) and 4-Chloro-3-nitrotoluene (35 %) isomers. The major component is separated as the lower boiling fraction on vacuum distillation. 4-Chloro-3-nitrotoluene [89-60-1] can be obtained, if required, from the residue by distillation and sweating. | | Biochem/physiol Actions | 4-Chloro-2-nitrotoluene is the starting reagent for synthesis of tricyclic indole-2-carboxylic acids, a potential NMDA-glycine antagonists. |
| | 4-Chloro-2-nitrotoluene Preparation Products And Raw materials |
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