8-Methoxyquinoline

HCID 70310

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 938-33-0
Standard SMILES: COc1cccc2cccnc12
InChIKey: ZLKGGEBOALGXJZ-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: 8-Methoxyquinoline
IUPAC: 8-methoxyquinoline
English name: 8-Methoxyquinoline
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

8-Methoxyquinoline938-33-0Methyl 8-quinolyl etherCCRIS 7821EINECS 213-341-74Y56U1UNUJDTXSID00239656RefChem:548229DTXCID50162147213-341-7Quinoline, 8-methoxy-MFCD00957068

Show more names

methyl8-quinolylether8-Methoxyquinoline>Quinoline, 8-methoxy-8-Methoxyquinoline,96%8-METHOXYQUINOLINE ISO 9001：2015 REACH

SCHEMBL170428ZLKGGEBOALGXJZ-UHFFFAOYSA-F2179-0008CS-0043908M2718EN300-105698UNII-4Y56U1UNUJAMY23309

Database identifiers

CAS: 938-33-0
PubChem CID: 70310
DTXSID: DTXSID00239656
ChEMBL: CHEMBL300509
UNII: 4Y56U1UNUJ
EC Number: 213-341-7
Nikkaji: J112.929E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Experimental & physicochemical properties

Kovats Retention Index1524；259.8

Physicochemical properties

Melting point: 38 · 38-41℃
Boiling point: 282 °C · 282°C(lit.)
Density: 1.034 · 1.0340
refractive index: 1.607 · 1.6070 (estimate)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 3.28 · 3.28±0.17(Predicted)
color: White to Orange to Green
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKey: ZLKGGEBOALGXJZ-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2OC)C=CC=1
FDA UNII: 4 Y56U1UNUJ · 4Y56U1UNUJ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): 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 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 reports by companies from 3 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)