5-Methoxypyridine-3-boronic Acid

HCID 2763087CAS 850991-69-4

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cncc(B(O)O)c1
InChIKey: ISDFOFZTZUILPE-UHFFFAOYSA-N
Molecular formula: C6H8BNO3
Average molar mass: 152.95 g/mol
Monoisotopic mass: 153.05972352

Names & identifiers

Preferred name: 5-Methoxypyridine-3-boronic Acid
IUPAC: (5-methoxy-3-pyridinyl)boronic acid
English name: 5-Methoxypyridine-3-boronic acid
Molecular formula: C6H8BNO3
Molecular weight: 152.94

Names & synonyms

5-Methoxypyridine-3-boronic acid850991-69-4DTXSID50376727RefChem:303864DTXCID10327755640-469-4(5-methoxypyridin-3-yl)boronic Acid5-Methoxypyridin-3-ylboronic acid(5-methoxy-3-pyridinyl)boronic acid(5-METHOXY-3-PYRIDYL)BORONIC ACIDMFCD03425977Boronic acid, B-(5-methoxy-3-pyridinyl)-

Show more names

3-Borono-5-methoxypyridine5-Methoxypyridine-3-boronic5-Methoxy-3-pyridylboronic Acid5-methoxy-3-pyridineboronic acid3-methoxy-5-pyridineboronic aci97%

3-methoxypyridin-5-boronic acidSY030909EN300-1924123-methoxy-5-pyridineboronic acid3-METHOXYPYRIDINE-5-BORONIC ACID5-METHOXY-3-PYRIDINYLBORONIC ACIDBoronic acid, (5-methoxy-3-pyridinyl)-FT-0650063

Database identifiers

CAS: 850991-69-4
PubChem CID: 2763087
DTXSID: DTXSID50376727
EC Number: 640-469-4

Properties

Computed structural properties

Topological polar surface area: 62.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 356.2 · 356.2±52.0 °C(Predicted)
Density: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Storage temp. -20°C
form: Powder
pka: 3.58 · 3.58±0.10(Predicted)
color: White to off-white
CAS DataBase Reference: 850991 · 850991-69-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

hs_code: 2933399990
risk_code: 37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313