CAS 59394-26-2 6-Chloroquinoline-2-carbaldehyde (HCID 271283)

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Basic information

CAS: 59394-26-2
Standard SMILES: O=Cc1ccc2cc(Cl)ccc2n1
InChIKey: MDISQESZDBPYRY-UHFFFAOYSA-N
Molecular formula: C10H6ClNO
Average molar mass: 191.61 g/mol
Monoisotopic mass: 191.0137915

Names & identifiers

Preferred name: 6-Chloroquinoline-2-carbaldehyde
IUPAC: 6-chloroquinoline-2-carbaldehyde
English name: 6-Chloroquinoline-2-carbaldehyde
Molecular formula: C10H6ClNO
Molecular weight: 191.61

Names & synonyms

6-chloroquinoline-2-carbaldehydeDTXSID00297216RefChem:541990DTXCID90248353998-678-459394-26-26-Chlorochinoline-2-aldehydeMFCD068241842-Quinolinecarboxaldehyde, 6-chloro-6-chloro-2-quinolinecarbaldehydeNSC114749SCHEMBL3597858

Show more names

6-chloroquinaldaldehyde6-Chloroquinoline-2-carboxaldehyde6-chloro-2-quinolinecarboxaldehyde6-chloroquinoline-2-carbaldehyde(SALTDATA: FREE)

MDISQESZDBPYRY-UHFFFAOYSA-N6-Chloro-quinoline-2-carbaldehydeALBB-027856AKOS006238119NSC-114749SB67599DA-36315NS-01812

Database identifiers

CAS: 59394-26-2
PubChem CID: 271283
DTXSID: DTXSID00297216
EC Number: 998-678-4
Nikkaji: J3.555.607I

Properties

Computed structural properties

XLogP: 2.8
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: 140 °C · 140 °C(Solv: ligroine (8032-32-4))
Boiling point: 349.3 · 349.3±22.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
pka: 2.85 · 2.85±0.43(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

Safety data

risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses6-Chloro-2-quinolinecarboxaldehyde acts as a reagent for the design, synthesis and biological evaluation of 2-substituted quinoline library of potential antileishmanial agents. Synthesis and biological evaluation of quinoline derivative as HDAC class I inhibitors.