(5-Fluoro-2-methoxypyridin-4-yl)boronic acid

HCID 44754837CAS 1043869-98-2

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(B(O)O)c(F)cn1
InChIKey: VGPMZARHJYGFSE-UHFFFAOYSA-N
Molecular formula: C6H7BFNO3
Average molar mass: 170.94 g/mol
Monoisotopic mass: 171.0503017

Names & identifiers

Preferred name: (5-Fluoro-2-methoxypyridin-4-yl)boronic acid
IUPAC: (5-fluoro-2-methoxy-4-pyridinyl)boronic acid
English name: 5-Fluoro-2-methoxypyridine-4-boronic acid
Molecular formula: C6H7BFNO3
Molecular weight: 170.93

Names & synonyms

1043869-98-2(5-fluoro-2-methoxypyridin-4-yl)boronic acidDTXSID10660538RefChem:209459DTXCID106112875-Fluoro-2-methoxypyridine-4-boronic acidMFCD06657887(5-fluoro-2-methoxy-4-pyridyl)boronic acid5-fluoro-2-methoxypyridin-4-ylboronic acidBoronic acid, B-(5-fluoro-2-methoxy-4-pyridinyl)-5-Fluoro-2-Methoxypyridine-4-BoronicAcidSCHEMBL245736

Show more names

(2E)-3-(5-methyl-29-furyl)acrylic acid5-fluoro-2-methoxypyrine-4-boronic acid5-Fluoro-2-methoxypyridine-4-boronicaci5-Fluoro-2-methoxypyridine-4-boronic acid 95%B-(5-fluoro-2-methoxy-4-pyridinyl)-Boronic acidB-(5-Fluoro-2-methoxy-pyridin-4-yl)boronic acid

VGPMZARHJYGFSE-UHFFFAOYSA-NAKOS006293856AB25729CS-W018786AC-33483AS-19481SY046039EN300-212544

Database identifiers

CAS: 1043869-98-2
PubChem CID: 44754837
DTXSID: DTXSID10660538
EC Number: 980-474-1

Properties

Computed structural properties

Topological polar surface area: 62.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 323.5 · 323.5±52.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 6.91 · 6.91±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.