5-Chloro-2-fluoropyridine-3-boronic Acid

HCID 24901779

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 937595-70-5
Standard SMILES: OB(O)c1cc(Cl)cnc1F
InChIKey: ZUDXVHDVUTUTFH-UHFFFAOYSA-N
Molecular formula: C5H4BClFNO2
Average molar mass: 175.35 g/mol
Monoisotopic mass: 175.00076467

Names & identifiers

Preferred name: 5-Chloro-2-fluoropyridine-3-boronic Acid
IUPAC: (5-chloro-2-fluoro-3-pyridinyl)boronic acid
English name: 5-Chloro-2-fluoropyridin-3-ylboronic acid
Molecular formula: C5H4BClFNO2
Molecular weight: 175.35

Names & synonyms

5-CHLORO-2-FLUOROPYRIDINE-3-BORONIC ACIDRefChem:534534811-028-5937595-70-5(5-Chloro-2-fluoropyridin-3-yl)boronic acid5-chloro-2-fluoropyridin-3-ylboronic acidMFCD04972408(5-chloro-2-fluoro-3-pyridyl)boronic acidBoronic acid, B-(5-chloro-2-fluoro-3-pyridinyl)-2-fluoro-5-chloropyridine-3-boronic acidPB483705-Chloro-2-fluoro-3-pyridylboronic Acid

Show more names

5-Chloro-2-fluoropyridine-3-boronic acid hydrate5-Chloro-2-Fluoropyridin-3-YlboronicAci5-Chloro-2-fluoropyridin-3-ylboronic acid ISO 9001：2015 REACH

SY047208EN300-73902275-Chloro-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)2-Fluoro-5-chloropyridSCHEMBL115615DTXSID30647886ZUDXVHDVUTUTFH-UHFFFAOYSA-NRB2053

Database identifiers

CAS: 937595-70-5
PubChem CID: 24901779
DTXSID: DTXSID30647886
EC Number: 811-028-5

Properties

Computed structural properties

Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 125 · 125-126℃
Boiling point: 346.6 · 346.6±52.0 °C(Predicted)
Density: 1.51 · 1.51±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: 5.7 · 5.70±0.58(Predicted)
color: White to Almost white
InChI: 1S/C5H4BClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H
InChIKey: ZUDXVHDVUTUTFH-UHFFFAOYSA-N
SMILES: FC(N=CC(Cl)=C1)=C1B(O)O
UNSPSC Code: 12352106 · 12352106
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids