6-Bromo-1,5-dimethyl-1H-benzo[d][1,2,3]triazole - CAS 2287288-18-8
Catalog: |
BB055056 |
Product Name: |
6-Bromo-1,5-dimethyl-1H-benzo[d][1,2,3]triazole |
CAS: |
2287288-18-8 |
Synonyms: |
6-Bromo-1,5-dimethyl-1H-benzo[d][1,2,3]triazole; 6-bromo-1,5-dimethylbenzotriazole; 6-bromo-1,5-dimethyl-1H-1,2,3-benzotriazole |
IUPAC Name: | 6-bromo-1,5-dimethylbenzotriazole |
Description: | 6-Bromo-1,5-dimethyl-1H-benzo[d][1,2,3]triazole (CAS# 2287288-18-8) is a useful research chemical compound for organic synthesis. |
Molecular Weight: | 226.08 |
Molecular Formula: | C8H8BrN3 |
Canonical SMILES: | CC1=CC2=C(C=C1Br)N(N=N2)C |
InChI: | InChI=1S/C8H8BrN3/c1-5-3-7-8(4-6(5)9)12(2)11-10-7/h3-4H,1-2H3 |
InChI Key: | DEZRMCJPYHDQMB-UHFFFAOYSA-N |
Melting Point: | > 143 °C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | Very Dark Red to Very Dark Brown Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.99016 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.99016 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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