2-Iodoquinoline

HCID 81044CAS 6560-83-4

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Basic information

Standard SMILES: Ic1ccc2ccccc2n1
InChIKey: FRWYFWZENXDZMU-UHFFFAOYSA-N
Molecular formula: C9H6IN
Average molar mass: 255.05 g/mol
Monoisotopic mass: 254.95449719

Names & identifiers

Preferred name: 2-Iodoquinoline
IUPAC: 2-iodoquinoline
English name: 2-Iodoquinoline
Molecular formula: C9H6IN
Molecular weight: 255.06

Names & synonyms

2-IodoquinolineQuinoline, 2-iodo-9NKM87FWD5NSC 56811NSC-56811DTXSID5064411RefChem:87697DTXCID2044636895-657-0FRWYFWZENXDZMU-UHFFFAOYSA-N6560-83-42-Iodo-quinoline

Show more names

2-iodo-quinolin

iodoquinolineMFCD00128938NSC56811UNII-9NKM87FWD5SCHEMBL372222SCHEMBL5201973GAA56083AKOS016009193

Database identifiers

CAS: 6560-83-4
PubChem CID: 81044
DTXSID: DTXSID5064411
UNII: 9NKM87FWD5
EC Number: 895-657-0
Nikkaji: J265.559D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Experimental & physicochemical properties

LogP3.04

Physicochemical properties

Melting point: 300 °C · >300 °C
Boiling point: 98 · 98-100 °C(Press: 0.35 Torr)
Density: 1.837 · 1.837±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 1.67 · 1.67±0.40(Predicted)
Appearance: Off-white to yellow Solid
FDA UNII: 9 NKM87FWD5 · 9NKM87FWD5
EPA Substance Registry System: 2 · Quinoline, 2-iodo- (6560-83-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed

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.