6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole - CAS 1257651-13-0
Catalog: |
BB006257 |
Product Name: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole |
CAS: |
1257651-13-0 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole |
Description: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-benzotriazole (CAS# 1257651-13-0) is a useful research chemical. |
Molecular Weight: | 245.089 |
Molecular Formula: | C12H16BN3O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=NNN=C3C=C2 |
InChI: | InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)8-5-6-9-10(7-8)15-16-14-9/h5-7H,1-4H3,(H,14,15,16) |
InChI Key: | QUYDCPHDUNQFKF-UHFFFAOYSA-N |
Melting Point: | 142-146 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Storage: | 2-8 °C |
LogP: | 1.25710 |
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: | P302 + P352 - P305 + P351 + P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
KR-20210092314-A | Triazolopyridin-3-one or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-11091479-B2 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
KR-20200083543-A | Diazaspiro ROCK inhibitor | 20171103 |
US-2021188848-A1 | Diazaspiro rock inhibitors | 20171103 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.1335569 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.1335569 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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