CAS 1263375-23-0 (2,5-Difluoropyridin-4-yl)boronic acid (HCID 53485463)

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Basic information

CAS: 1263375-23-0
Standard SMILES: OB(O)c1cc(F)ncc1F
InChIKey: CFUGAJDUGLGADA-UHFFFAOYSA-N
Molecular formula: C5H4BF2NO2
Average molar mass: 158.9 g/mol
Monoisotopic mass: 159.0303149

Names & identifiers

Preferred name: (2,5-Difluoropyridin-4-yl)boronic acid
IUPAC: (2,5-difluoro-4-pyridinyl)boronic acid
English name: 2,5-Difluoropyridine-4-boronic acid
Molecular formula: C5H4BF2NO2
Molecular weight: 158.9

Names & synonyms

1263375-23-0(2,5-difluoropyridin-4-yl)boronic acidDTXSID70704624RefChem:205577DTXCID00655372891-301-32,5-Difluoropyridine-4-boronic acid2,5-DIFLUOROPYRIDIN-4-YLBORONIC ACIDMFCD16556243Boronic acid, B-(2,5-difluoro-4-pyridinyl)-2,5-Difluoropyridine-4-boronicacidAKOS025293583

Show more names

(2E)-3-(5-methyl-33-furyl)acrylic acid(2,5-Difluoropyridin-4-yl)boronic acid - [D18312](2,5-Difluoropyridin-4-yl)boronic acid(contains varying amounts of Anhydride)

AS-20158EN300-251657Z1255389223(2,5-difluoro-4-pyridinyl)boronic acidAM806591CFUGAJDUGLGADA-UHFFFAOYSSCHEMBL1192318SCHEMBL29514284

Database identifiers

CAS: 1263375-23-0
PubChem CID: 53485463
DTXSID: DTXSID70704624
EC Number: 891-301-3

Properties

Computed structural properties

Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 305.2 · 305.2±52.0 °C(Predicted)
Density: 1.44 · 1.44±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 6.31 · 6.31±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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]

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.