2-Chloro-3-quinolinecarboxaldehyde

HCID 690958

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 73568-25-9
Standard SMILES: O=Cc1cc2ccccc2nc1Cl
InChIKey: SDKQWXCBSNMYBN-UHFFFAOYSA-N
Molecular formula: C10H6ClNO
Average molar mass: 191.61 g/mol
Monoisotopic mass: 191.01379149

Names & identifiers

Preferred name: 2-Chloro-3-quinolinecarboxaldehyde
IUPAC: 2-chloroquinoline-3-carbaldehyde
English name: 2-CHLOROQUINOLINE-3-CARBALDEHYDE
Molecular formula: C10H6ClNO
Molecular weight: 191.61

Names & synonyms

2-Chloro-3-quinolinecarboxaldehydeRefChem:468750628-254-32-chloroquinoline-3-carbaldehyde73568-25-92-Chloroquinoline-3-carboxaldehyde2-chloro-3-quinoline carboxaldehyde3-Quinolinecarboxaldehyde, 2-chloro-2-chloro-3-quinolinecarbaldehyde2-chloro-3-formylquinolineMFCD001300792-chloro-quinoline-3-carbaldehyde

Show more names

SBB000302ZINC00061503AKOS AU36-M569390119_ALDRICHASISCHEM C51996AKOS BBS-00001118RARECHEM AK ML 0551TIMTEC-BB SBB000302

SCHEMBL3722642-chloroquinolin-3-carbaldehydeCS-W015838SB674552-Chloro-3-quinolinecarboxaldehyde, 98%BP-12764C2289F0010-0600

Database identifiers

CAS: 73568-25-9
PubChem CID: 690958
DTXSID: DTXSID80351108
ChEMBL: CHEMBL4528828
EC Number: 628-254-3
Nikkaji: J277.188H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Physicochemical properties

Melting point: 148 · 148-150 °C (lit.)
Boiling point: 335.8 · 335.8±22.0 °C(Predicted)
Density: 1.364 · 1.364
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: -1.31 · -1.31±0.50(Predicted)
form: Liquid
color: Clear colorless to yellow
Sensitive: Air Sensitive
InChI: 1S/C10H6ClNO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChIKey: SDKQWXCBSNMYBN-UHFFFAOYSA-N
SMILES: Clc1nc2ccccc2cc1C=O
CAS DataBase Reference: 73568 · 73568-25-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29334900 · 29334900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.