
CAS Number94-97-3
Synonyms5-Chloro-1H-benzotriazole; 6-Chloro-1H-benzotriazole; 1H-Benzotriazole,5-chloro; EINECS 202-378-4; 5-CHLOROBENZTRIAZOLE; 5-Chloro-1,2,3-benzotriazole; MFCD00005700; 5-chloro-1h-benzotriazol; 5-Cl-benzotriazole
Molecular FormulaC6H4ClN3
Molecular Weight427.92
Purity98.00%
Density1.5±0.1 g/cm3
Boiling Point392.7±15.0 °C at 760 mmHg
Melting Point157-159 °C(lit.)
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 94-97-3 |
| Catalog No. | 2A-9017878 |
| Chinese Name | 5-氯代苯并三氮唑 |
| Synonyms | 5-Chloro-1H-benzotriazole; 6-Chloro-1H-benzotriazole; 1H-Benzotriazole,5-chloro; EINECS 202-378-4; 5-CHLOROBENZTRIAZOLE; 5-Chloro-1,2,3-benzotriazole; MFCD00005700; 5-chloro-1h-benzotriazol; 5-Cl-benzotriazole |
| Molecular Formula | C6H4ClN3 |
| Molecular Weight | 427.92 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 392.7±15.0 °C at 760 mmHg |
| Melting Point | 157-159 °C(lit.) |
| Appearance | solid |
| Water Solubility | SOLUBLE IN HOT WATER |
| Storage Condition | Room temperature, dry |
| PubChem ID | 329771151 |
| MDL Number | MFCD09763675 |
| SMILES | CC(=C)C(=O)OCCCc1cc(c(O)c(c1)C(C)(C)C)-n2nc3ccc(Cl)cc3n2 |
| InChI | 1S/C23H26ClN3O3/c1-14(2)22(29)30-10-6-7-15-11-17(23(3,4)5)21(28)20(12-15)27-25-18-9-8-16(24)13-19(18)26-27/h8-9,11-13,28H,1,6-7,10H2,2-5H3 |
| InChI Key | RLWDBZIHAUEHLO-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/17878_1_94_97_3.pdf |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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