5-Hydroxy-2-pyridinecarboxaldehyde

HCID 278389CAS 31191-08-9

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Basic information

Standard SMILES: O=Cc1ccc(O)cn1
InChIKey: HSODMUBHOXGNNQ-UHFFFAOYSA-N
Molecular formula: C6H5NO2
Average molar mass: 123.11 g/mol
Monoisotopic mass: 123.0320284

Names & identifiers

Preferred name: 5-Hydroxy-2-pyridinecarboxaldehyde
IUPAC: 5-hydroxypyridine-2-carbaldehyde
English name: 5-hydroxypyridine-2-carbaldehyde
Molecular formula: C6H5NO2
Molecular weight: 123.11

Names & synonyms

5-HYDROXY-2-PYRIDINECARBOXALDEHYDERefChem:536195826-139-45-hydroxypicolinaldehyde31191-08-95-hydroxypyridine-2-carbaldehyde5-Hydroxypyridine-2-carboxaldehydeMFCD106975385-hydroxy-2-formylpyridine2-Formyl-5-hydroxypyridine2-Pyridinecarboxaldehyde, 5-hydroxy-5-hydroxypyridin-2-carboxaldehyde

Show more names

NSC 129151NSC 1279483-fluoropropanoic5-HYDROXYPYRIDINE-2-CARBAL

5-Hydroxy-pyridine-2-carbaldehydeNSC127948Picolinaldehyde, dimer5-HYDROXY-2-PYRIDINECARBALDEHYDE6-Formyl-3-pyridinol2-formyl-5-hydroxy pyridineSCHEMBL179115SCHEMBL941512

Database identifiers

CAS: 31191-08-9
PubChem CID: 278389
DTXSID: DTXSID50299068
EC Number: 826-139-4
Nikkaji: J3.027.895J

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 223 · 223-225 °C (decomp)
Boiling point: 363.5 · 363.5±22.0 °C(Predicted)
Density: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.17 · 3.17±0.18(Predicted)
form: solid
color: Light brown to brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.