CAS 35714-48-8 7-Chloroquinoline-4-carbaldehyde (HCID 21823217)

Substructure search Find similar structures

Basic information

CAS: 35714-48-8
Standard SMILES: O=Cc1ccnc2cc(Cl)ccc12
InChIKey: CUWDDNDHAKGKTI-UHFFFAOYSA-N
Molecular formula: C10H6ClNO
Average molar mass: 191.61 g/mol
Monoisotopic mass: 191.01379149

Names & identifiers

Preferred name: 7-Chloroquinoline-4-carbaldehyde
IUPAC: 7-chloroquinoline-4-carbaldehyde
English name: 7-chloroquinoline-4-carbaldehyde
Molecular formula: C10H6ClNO
Molecular weight: 191.61

Names & synonyms

7-chloroquinoline-4-carbaldehyde35714-48-8DTXSID50618492RefChem:310692DTXCID80569246856-497-77-Chloro-4-quinolinecarboxaldehyde4-Quinolinecarboxaldehyde, 7-chloro-SCHEMBL3709985CUWDDNDHAKGKTI-UHFFFAOYSA-N7-Chloroquinoline-4-carboxaldehydeKBA71448

Show more names

MFCD06824422SB68287CS-0245141G73430EN300-2999362F660389Z1255489806

Database identifiers

CAS: 35714-48-8
PubChem CID: 21823217
DTXSID: DTXSID50618492
EC Number: 856-497-7

Properties

Computed structural properties

XLogP: 2.4
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: 112 · 112-113.5 °C
Boiling point: 349.3 · 349.3±22.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 1.36 · 1.36±0.27(Predicted)
Appearance: Yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses7-Chloroquinoline-4-carbaldehyde can be useful in the preparation of benzhydryl-derivatives as plasmodium falciparum chloroquine resistance transporter inhibitors. It can also be useful in the preparation of 4-(adamantan-1-yl)-2-substituted quinolines with anti-tuberculosis activity.