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| | 1-CHLOROBENZOTRIAZOLE Basic information |
| Product Name: | 1-CHLOROBENZOTRIAZOLE | | Synonyms: | 1-CHLOROBENZOTRIAZOLE;1-chloro-1H-benzotriazole;1-Chloro-1H-1,2,3-benzotriazole;NSC 186037;1H-Benzotriazole, 1-chloro-;1-chloro-1H-benzo[d][1,2,3]triazole;N-Chlorobenzotriazole | | CAS: | 21050-95-3 | | MF: | C6H4ClN3 | | MW: | 153.57 | | EINECS: | 244-171-1 | | Product Categories: | Aromatics;Heterocycles | | Mol File: | 21050-95-3.mol |  |
| | 1-CHLOROBENZOTRIAZOLE Chemical Properties |
| Melting point | 104-106C | | Boiling point | 252.42°C (rough estimate) | | density | 1.3647 (rough estimate) | | refractive index | 1.6010 (estimate) | | storage temp. | -20°C Freezer, Under Inert Atmosphere | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) | | form | Solid | | pka | -0.96±0.30(Predicted) | | color | White to Off-White | | InChI | InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H | | InChIKey | INOGLHRUEYDAHX-UHFFFAOYSA-N | | SMILES | N1(Cl)C2=CC=CC=C2N=N1 |
| Hazard Codes | Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 29339900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1-CHLOROBENZOTRIAZOLE Usage And Synthesis |
| Chemical Properties | White Solid | | Uses | Oxidation and chlorination reagent. | | Application | Used as positive halogen reagent for mild oxidations and selective chlorinations. | | Synthesis | 1-Chlorobenzotriazole is prepared by treat benzotriazole with sodium hypochlorite in 50% aq acetic acid. The reagent quickly precipitates and is obtained in nearly quantitative yield after recrystallization from CH2Cl2/petroleum ether. | | storage | 1-Chlorobenzotriazole may ignite spontaneously; reacts explosively with DMSO; light sensitive; stable to air and moisture in brown bottles; storage recommended at 0 °C; discard or repurify if discoloration occurs. This reagent should be handled in a fume hood. |
| | 1-CHLOROBENZOTRIAZOLE Preparation Products And Raw materials |
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