CAS 607-31-8 4-Methoxyquinoline (HCID 521938)

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Basic information

CAS: 607-31-8
Standard SMILES: COc1ccnc2ccccc12
InChIKey: RWTCJCUERNMVEZ-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Overview

4-Methoxyquinoline has been reported in Castanopsis cuspidata with data available.

Names & identifiers

Preferred name: 4-Methoxyquinoline
IUPAC: 4-methoxyquinoline
English name: 4-Methoxyquinoline
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

4-Methoxyquinoline607-31-8DTXSID00334791RefChem:99676DTXCID50285880873-765-9RWTCJCUERNMVEZ-UHFFFAOYSA-NQuinoline, 4-methoxy-MFCD00483884p-Methoxychinolin4-Methoxy QuinolineSCHEMBL828159

Show more names

4-methoxyquinoline - [M87067]

SCHEMBL12891757AC-574AKOS006274230SB67807AS-38101SY239034CS-0172913AMY5070

Database identifiers

CAS: 607-31-8
PubChem CID: 521938
DTXSID: DTXSID00334791
EC Number: 873-765-9
Nikkaji: J96.109D

Properties

Computed structural properties

XLogP: 0.9
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

Physicochemical properties

Melting point: 41 °C · 41°C
Boiling point: 284.68 °C · 284.68°C (rough estimate)
Density: 1.1202 · 1.1202 (rough estimate)
refractive index: 1.607 · 1.6070 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 6.37 · 6.37±0.13(Predicted)
color: Colourless
NIST Chemistry Reference: 4 · Quinoline, 4-methoxy-(607-31-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.