5,6-Dimethylbenzotriazole - CAS 4184-79-6
Catalog: |
BB054342 |
Product Name: |
5,6-Dimethylbenzotriazole |
CAS: |
4184-79-6 |
Synonyms: |
5,6-Dimethyl-1H-benzotriazole; 5,6-Dimethyl-1,2,3-benzotriazole; NSC 62005; 5,6-dimethyl-1H-benzo[d][1,2,3]triazole; 1H-1,2,3-Benzotriazole, 5,6-dimethyl-; 5,6-Dimethyl-1H-benzo[d][1,2,3]triazole; 5,6-Dimethyl-1H-1,2,3-benzotriazole |
Related CAS: | 1354973-50-4 (hydrate)
|
IUPAC Name: | 5,6-dimethyl-2H-benzotriazole |
Molecular Weight: | 147.18 |
Molecular Formula: | C8H9N3 |
Canonical SMILES: | CC1=CC2=NNN=C2C=C1C |
InChI: | InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11) |
InChI Key: | MVPKIPGHRNIOPT-UHFFFAOYSA-N |
Boiling Point: | 373.5±11.0°C (Predicted) |
Melting Point: | 152-156°C |
Purity: | ≥95% |
Density: | 1.217±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
Appearance: | Yellow to Brown Crystalline Powder |
Storage: | Store at RT |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.0796473 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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