2-Hydroxyquinoline-3-carbaldehyde

HCID 589334

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Basic information

CAS: 91301-03-0
Standard SMILES: O=Cc1cc2ccccc2[nH]c1=O
InChIKey: VWHKEYXRRNSJTN-UHFFFAOYSA-N
Molecular formula: C10H7NO2
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.04767846

Names & identifiers

Preferred name: 2-Hydroxyquinoline-3-carbaldehyde
IUPAC: 2-oxo-1H-quinoline-3-carbaldehyde
English name: 2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE
Molecular formula: C10H7NO2
Molecular weight: 173.17

Names & synonyms

91301-03-02-hydroxyquinoline-3-carbaldehydeDTXSID30343371RefChem:473519DTXCID90294451804-534-22-Oxo-1,2-dihydro-quinoline-3-carbaldehyde2-oxo-1H-quinoline-3-carbaldehyde2-Oxo-1,2-dihydro-3-quinolinecarbaldehyde2-oxo-1,2-dihydroquinoline-3-carbaldehyde3-FORMYL-2QUINOLONE1,2-DIHYDRO-2-OXOQUINOLINE-3-CARBOXALDEHYDE

Show more names

AKOS BBS-00005352IFLAB-BB F0342-00361,2-Dihydro-3-formyl-2-oxoquinoline2(1H)-Quinolinone-3-carboxaldehyde, 97%2-OXO-1,2-DIHYDRO-3-QUINOLINECARBOXALDEHYDE

MFCD005634431,2-dihydro-2-oxoquinoline-3-carbaldehyde1,2-Dihydro-2-oxo-3-quinolinecarboxaldehyde2-oxohydroquinoline-3-carbaldehyde3-formylcarbostyrilquinolone-3-carbaldehyde2-hydroxy-3-formylquinoline3-formyl-2-hydroxyquinoline

Database identifiers

CAS: 91301-03-0
PubChem CID: 589334
DTXSID: DTXSID30343371
ChEMBL: CHEMBL3609843
EC Number: 804-534-2
Nikkaji: J695.294A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 270

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 250 °C · >250°C
Boiling point: 434.9 · 434.9±45.0 °C(Predicted)
Density: 1.367 · 1.367±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 10.82 · 10.82±0.70(Predicted)
form: Solid
color: White to brown
Sensitive: Air Sensitive
InChI: 1S/C10H7NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)
InChIKey: VWHKEYXRRNSJTN-UHFFFAOYSA-N
SMILES: Oc1nc2ccccc2cc1C=O
CAS DataBase Reference: 91301 · 91301-03-0
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H315-H335
Precautionary statements: 305 · P305+P351+P338-P261-P280a-P304+P340-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933491090 · 2933491090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.