CAS 1613-34-9 2-Ethylquinoline (HCID 137113)

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Basic information

CAS: 1613-34-9
Standard SMILES: CCc1ccc2ccccc2n1
InChIKey: XCIZVKSCLVSDHN-UHFFFAOYSA-N
Molecular formula: C11H11N
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.08914935

Names & identifiers

Preferred name: 2-Ethylquinoline
IUPAC: 2-ethylquinoline
English name: 2-Ethylquinoline
Molecular formula: C11H11N
Molecular weight: 157.21

Names & synonyms

2-EthylquinolineQuinoline, 2-ethyl-UNII-9S4G87AFMB9S4G87AFMBDTXSID40167106RefChem:87011DTXCID2089597846-932-9XCIZVKSCLVSDHN-UHFFFAOYSA-N1613-34-92-ethyl-quinoline2-Ethylquino line

Show more names

SCHEMBL153778SCHEMBL267838SCHEMBL267839SCHEMBL4675694SCHEMBL5748142SCHEMBL5750423SCHEMBL10788654SCHEMBL29405396

Database identifiers

CAS: 1613-34-9
PubChem CID: 137113
DTXSID: DTXSID40167106
UNII: 9S4G87AFMB
EC Number: 846-932-9
Nikkaji: J47.675G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 51.53 °C · 51.53°C (estimate)
Boiling point: 245.55 °C · 245.55°C
Density: 1.05 · 1.0500
refractive index: 1.5979 · 1.5979
pka: 5.86 · 5.86±0.40(Predicted)
FDA UNII: 9 S4G87AFMB · 9S4G87AFMB
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P