CAS 851524-96-4 (6-Aminopyridin-3-yl)boronic acid (HCID 22396308)

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Basic information

CAS: 851524-96-4
Standard SMILES: Nc1ccc(B(O)O)cn1
InChIKey: NPJBPJIQMCHZLJ-UHFFFAOYSA-N
Molecular formula: C5H7BN2O2
Average molar mass: 137.93 g/mol
Monoisotopic mass: 138.06005786

Names & identifiers

Preferred name: (6-Aminopyridin-3-yl)boronic acid
IUPAC: (6-amino-3-pyridinyl)boronic acid
English name: (6-AMINOPYRIDIN-3-YL)BORONIC ACID
Molecular formula: C5H7BN2O2
Molecular weight: 137.93

Names & synonyms

851524-96-4(6-AMINOPYRIDIN-3-YL)BORONIC ACIDDTXSID70625446RefChem:404960DTXCID00576199849-039-26-Aminopyridine-3-boronic acid6-aminopyridin-3-ylboronic acid2-Aminopyridine-5-boronic acidMFCD09907980(2-AMINOPYRIDIN-5-YL)BORONIC ACIDBoronic acid, (6-amino-3-pyridinyl)-

Show more names

6-AMinopyridine-3-boronic...6-AAMINOPYRIDINE-3-BORONIC ACID2-amino-5-pyridinyl boronic acidBoronic acid, B-(6-amino-3-pyridinyl)-6-Aminopyridine-3-boronic acid - [A7476]6-Aminopyridine-3-boronic acid hydrochlorideB-(6-aMino-3-pyridinyl)-2-PyridineethanaMine

(6-amino-3-pyridyl)boronic acid6-aminopyridine-3-boronicacidSCHEMBL113132SCHEMBL294573872-amino-pyridine-5-boronic acid2-aminopyridin-5-yl-boronic acidNPJBPJIQMCHZLJ-UHFFFAOYSA-N6-amino-pyridin-3-yl-boronic acid

Database identifiers

CAS: 851524-96-4
PubChem CID: 22396308
DTXSID: DTXSID70625446
EC Number: 849-039-2

Properties

Computed structural properties

Topological polar surface area: 79.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 388.3 · 388.3±52.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 4.24 · 4.24±0.10(Predicted)
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362