Basic information
- CAS
223463-14-7- Standard SMILES
OB(O)c1ccc(Br)nc1- InChIKey
BCYWDUVHAPHGIP-UHFFFAOYSA-N- Molecular formula
- C5H5BBrNO2
- Average molar mass
- 201.82 g/mol
- Monoisotopic mass
- 200.9596709
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Bromopyridine-5-boronic acid
- IUPAC
- (6-bromo-3-pyridinyl)boronic acid
- English name
- 2-Bromopyridine-5-boronic acid
- Molecular formula
- C5H5BBrNO2
- Molecular weight
- 201.81
Names & synonyms
223463-14-72-Bromopyridine-5-boronic acidDTXSID70376380RefChem:467312DTXCID20327408672-028-7(6-bromopyridin-3-yl)boronic Acid6-BROMOPYRIDINE-3-BORONIC ACID2-Bromo-5-pyridineboronic AcidBPBAMFCD03411558(6-bromo-3-pyridinyl)boronic acid
Show more names
2-bromo-5-pyridylboronic acidAKOS BRN-0200RARECHEM AK ML 04435-Borono-2-bromopyridine2-Bromopyridine-5-Boronic2-bromopridine-5-boric acid2-BROMOPYRIDYL-5-BORONIC ACID6-bromo-3-pyridylboronic acid
6-BROMO-3-PYRIDINYLBORONIC ACIDSCHEMBL181140CS-W015531AB14131AC-69916-Bromo-3-pyridinylboronic acid, >=95%B33076-Bromopyridin-3-ylboronic acid
Database identifiers
- CAS
223463-14-7- PubChem CID
- 2762706
- DTXSID
DTXSID70376380
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 161 · 161-166 °C
- Boiling point
- 358.2 · 358.2±52.0 °C(Predicted)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- pka
- 6.62 · 6.62±0.10(Predicted)
- form
- solid
- color
- white to off-white
- BRN
- 9119918 · 9119918
- InChI
- 1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
- InChIKey
- BCYWDUVHAPHGIP-UHFFFAOYSA-N
- SMILES
- OB(O)c1ccc(Br)nc1
- CAS DataBase Reference
- 223463 · 223463-14-7(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
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 10 reports by companies from 6 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
- wgk
- 3
- tsca
- No
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesReactant involved in:Iterative cross-coupling reactions for synthesis of non-cytotoxic terpyridinesThe Garlanding approach for synthesis of phenyl-pyridyl scaffoldsCyanation for synthesis of aromatic nitrilesSuzuki-Miyaura cross-coupling with dihalopyridines and dihalobipyridinesPetasis boronic Mannich reaction
General DescriptionMay contain varying amounts of anhydride
Upstream & downstream products
Upstream raw materials
Downstream products
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
16 records
Compound notes
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