8-Nitro-7-quinolinecarboxaldehyde

HCID 11769554

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Basic information

CAS: 101327-87-1
Standard SMILES: O=Cc1ccc2cccnc2c1[N+](=O)[O-]
InChIKey: CGYVBVWBGRTQJQ-UHFFFAOYSA-N
Molecular formula: C10H6N2O3
Average molar mass: 202.17 g/mol
Monoisotopic mass: 202.03784206

Names & identifiers

Preferred name: 8-Nitro-7-quinolinecarboxaldehyde
IUPAC: 8-nitroquinoline-7-carbaldehyde
English name: 8-Nitro-7-quinolinecarboxaldehyde
Molecular formula: C10H6N2O3
Molecular weight: 202.17

Names & synonyms

8-Nitro-7-quinolinecarboxaldehyde101327-87-1DTXSID70472154RefChem:312237DTXCID40422969678-308-58-nitroquinoline-7-carbaldehyde7-Quinolinecarboxaldehyde, 8-nitro-MFCD084364388-Nitroquinoline-7-carboxaldehydeSCHEMBL10117098-Nitro-7-quinolinecarbaldehyde

Show more names

8-Nitro-7-quinolinecarboxaldehyde>

AKOS000319912SB71926AS-62211SY106138CS-0131621N0852F162517-Formyl-8-nitroquinoline

Database identifiers

CAS: 101327-87-1
PubChem CID: 11769554
DTXSID: DTXSID70472154
EC Number: 678-308-5
Nikkaji: J1.134.899H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 75.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 264

Physicochemical properties

Melting point: 178 to · 178.0 to 182.0 °C
Boiling point: 401.4 · 401.4±35.0 °C(Predicted)
Density: 1.441 · 1.441±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: -0.66 · -0.66±0.31(Predicted)
form: powder to crystal
color: Light yellow to Brown
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 315 · H315-H319-H341
Precautionary statements: 201 · P201-P202-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P308+P313-P405-P501
HS Code: 29334900 · 29334900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 29334900
Signal word: Warning
Symbol(GHS): GHS07,GHS08
Hazard statements: H315-H319-H341
Precautionary statements: P201-P202-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P308+P313-P405-P501