3-(Pyridin-3-yl)propanal

HCID 11105412CAS 1802-16-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=CCCc1cccnc1
InChIKey: MQGVOSGGRHAKOE-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: 3-(Pyridin-3-yl)propanal
IUPAC: 3-pyridin-3-ylpropanal
English name: 3-(Pyridin-3-yl)propanal ,98%
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

3-(PYRIDIN-3-YL)PROPANAL1802-16-03-PYRIDINEPROPANALDTXSID50455288RefChem:496074DTXCID80406107878-975-43-pyridin-3-ylpropanal3-(Pyridin-3-yl)propanal ,98per cent3-(3-pyridyl)propanal3-(3-PYRIDINYL)PROPANAL3-Pyridin-propionaldehyde

Show more names

3-(Pyridin-3-yl)propanal ,98%3-(pyridine-3yl)propylaldehyde

3-pyridin-3-yl-propanalpyridine-3-propionaldehyde3-(3-Pyridyl)-1-propanal3-(3-pyridyl)propionaldehydeSCHEMBL348855SCHEMBL3488563-(3-pyridinyl)propionaldehyde3-Pyridin-3-yl-propionaldehyde

Database identifiers

CAS: 1802-16-0
PubChem CID: 11105412
DTXSID: DTXSID50455288
EC Number: 878-975-4
Nikkaji: J1.237.880G

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 81 · 81-91 °C(Press: 2 Torr)
Density: 1.045 · 1.045±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 5.29 · 5.29±0.10(Predicted)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 1 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.