(6-Fluoropyridin-3-yl)boronic acid

HCID 2783397

Notes Reactions

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Basic information

CAS: 351019-18-6
Standard SMILES: OB(O)c1ccc(F)nc1
InChIKey: OJBYZWHAPXIJID-UHFFFAOYSA-N
Molecular formula: C5H5BFNO2
Average molar mass: 140.91 g/mol
Monoisotopic mass: 141.03973702

Names & identifiers

Preferred name: (6-Fluoropyridin-3-yl)boronic acid
IUPAC: (6-fluoro-3-pyridinyl)boronic acid
English name: 2-Fluoropyridine-5-boronic acid
Molecular formula: C5H5BFNO2
Molecular weight: 140.91

Names & synonyms

(6-fluoropyridin-3-yl)boronic AcidRefChem:405049627-412-92-Fluoropyridine-5-boronic acid351019-18-62-Fluoro-5-pyridylboronic acid6-fluoropyridine-3-boronic acid2-fluoro-5-pyridineboronic acid6-Fluoro-3-pyridinylboronic acidMFCD03411559(6-fluoro-3-pyridyl)boronic acidBORONIC ACID, (6-FLUORO-3-PYRIDINYL)-

Show more names

2-Fluoropyridine-5-BoronicAKOS BRN-0471CAS:351019-18-6RARECHEM AK ML 04412-fluoro-5-pyridine borate2-FLUOROPYRIDIN-5-BORONIC ACID6-fluoro-3-pyridylboronic acid2-Fluoropyridyl-5-boronic acid

(6-fluoropyridin-3-yl)boranediolSCHEMBL8593BDBM26141(6-fluoropyridin-3-yl) boronic acidAC-6986Z1203162316(6-fluoro-3-pyridinyl)boronic acid6-fluoropyridin

Database identifiers

CAS: 351019-18-6
PubChem CID: 2783397
DTXSID: DTXSID00382636
ChEMBL: CHEMBL487369
UNII: H7MRK5DJM8
EC Number: 627-412-9
Nikkaji: J1.720.051H

Properties

Computed structural properties

Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Melting point: 177 · 177-178°C (dec.)
Boiling point: 311.5 · 311.5±52.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 6.97 · 6.97±0.10(Predicted)
color: White to Almost white
BRN: 8974962 · 8974962
InChI: InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKey: OJBYZWHAPXIJID-UHFFFAOYSA-N
SMILES: B(C1=CC=C(F)N=C1)(O)O
CAS DataBase Reference: 351019 · 351019-18-6(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29349990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-36/37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Usessuzuki reaction

UsesUsed in a synthesis of halohydroxypyridines by hydroxydeboronation with basic hydrogen peroxide.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Fluoro-5-(4-methoxyphenyl)pyridine

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

221 records

New reaction record

HRID 86099As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 92188As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135854As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 141966As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 158625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 177983As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204622As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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