CAS 1235469-00-7 1-Methylindazole-5-boronic acid pinacol ester (HCID 46941573)

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Basic information

CAS: 1235469-00-7
Standard SMILES: Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIKey: TWHDNOZTKLOCGS-UHFFFAOYSA-N
Molecular formula: C14H19BN2O2
Average molar mass: 258.13 g/mol
Monoisotopic mass: 258.15395825

Names & identifiers

Preferred name: 1-Methylindazole-5-boronic acid pinacol ester
IUPAC: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
English name: 1H-Indazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Molecular formula: C14H19BN2O2
Molecular weight: 258.12

Names & synonyms

1-METHYLINDAZOLE-5-BORONIC ACID PINACOL ESTERRefChem:434634811-971-21235469-00-71-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLE1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazoleMFCD150714381-Methylindazole-5-boroni...1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDAZOLE1H-INDAZOLE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-(1-METHYL-1H-INDAZOL-5-YL)BORONIC ACID PINACOL ESTERTWHDNOZTKLOCGS-UHFFFAOYSA-N

Show more names

1-Methyl-1H-indazol-5-ylboronic acid pinacol ester1-Methylindazole-5-boronic acid pinacol ester - [M0367]1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)

SCHEMBL858552SCHEMBL29357103DTXSID60677454AKOS015898059PB19425AS-38144DA-29162SY097168

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 345

Physicochemical properties

Boiling point: 385 · 385.0±15.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 1.51 · 1.51±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.