5,6-Dimethylbenzotriazole Hydrate - CAS 1354973-50-4
Catalog: |
BB054217 |
Product Name: |
5,6-Dimethylbenzotriazole Hydrate |
CAS: |
1354973-50-4 |
Synonyms: |
5,6-Dimethyl-1H-benzotriazole Hydrate; 5,6-Dimethyl-1,2,3-benzotriazole Hydrate; NSC 62005 Hydrate; 5,6-dimethyl-1H-benzo[d][1,2,3]triazole hydrate; 1H-1,2,3-Benzotriazole, 5,6-dimethyl-, hydrate (1:1); 5,6-Dimethyl-1H-benzotriazole monohydrate |
Related CAS: | 4184-79-6 (anhydrous)
|
IUPAC Name: | 5,6-dimethyl-2H-benzotriazole;hydrate |
Molecular Weight: | 165.20 |
Molecular Formula: | C8H9N3.H2O |
Canonical SMILES: | CC1=CC2=NNN=C2C=C1C.O |
InChI: | InChI=1S/C8H9N3.H2O/c1-5-3-7-8(4-6(5)2)10-11-9-7;/h3-4H,1-2H3,(H,9,10,11);1H2 |
InChI Key: | VVWPOQUENPOMAK-UHFFFAOYSA-N |
Melting Point: | 154-157°C |
Purity: | ≥95% |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
Appearance: | Pale Beige to Dark Beige Solid |
Storage: | Store at 2-8°C |
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: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.090211983 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.090211983 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzotriazoles
-
[89852-82-4]
2-Methyl-2H-1,2,3-benzotriazol-4-amine
-
[89852-83-5]
2-Methyl-2H-1,2,3-benzotriazol-5-amine
-
[305381-67-3]
1-methyl-1H-1,2,3-benzotriazole-5-carboxylic acid
-
[960509-83-5]
4,7-Dibromo-2-octyl-2H-benzo[d][1,2,3]triazole
-
[4184-79-6]
5,6-Dimethylbenzotriazole
-
[3325-11-9]
5-Aminobenzotriazole
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS