CAS 74668-74-9 2-Chloro-8-methoxyquinoline (HCID 3585267)

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Basic information

CAS: 74668-74-9
Standard SMILES: COc1cccc2ccc(Cl)nc12
InChIKey: IYADVMNJDHMUBV-UHFFFAOYSA-N
Molecular formula: C10H8ClNO
Average molar mass: 193.63 g/mol
Monoisotopic mass: 193.02944156

Names & identifiers

Preferred name: 2-Chloro-8-methoxyquinoline
IUPAC: 2-chloro-8-methoxyquinoline
English name: 2-Chloro-8-methoxyquinoline
Molecular formula: C10H8ClNO
Molecular weight: 193.63

Names & synonyms

2-chloro-8-methoxyquinoline74668-74-9DTXSID10393894RefChem:259195DTXCID00344754894-855-4Quinoline,2-chloro-8-methoxy-2-Chloro-8-methoxy-quinolineMFCD02684171Quinoline, 2-chloro-8-methoxy-ChemDiv3_000614CHEMBRDG-BB 4902078

Show more names

2-chloro-8-methoxyquinoline(SALTDATA: FREE)

SCHEMBL8732408-methoxy-2-(chloro)quinolineCHEMBL3634138IYADVMNJDHMUBV-UHFFFAOYSA-NHMS1474L20ALBB-021971AKOS012298533AT15624

Database identifiers

CAS: 74668-74-9
PubChem CID: 3585267
DTXSID: DTXSID10393894
ChEMBL: CHEMBL3634138
EC Number: 894-855-4
Nikkaji: J1.003.488D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 77 · 77-78 °C
Boiling point: 310.5 · 310.5±22.0 °C(Predicted)
Density: 1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: -1.38 · -1.38±0.50(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xn
Risk Statements: 22 · 22

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, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501