CAS 73568-29-3 2-Chloro-6-methoxyquinoline-3-carbaldehyde (HCID 689079)

Names & identifiers

Preferred name: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
IUPAC: 2-chloro-6-methoxyquinoline-3-carbaldehyde
English name: 2-Chloro-6-methoxyquinoline-3-carbaldehyde
Molecular formula: C11H8ClNO2
Molecular weight: 221.64

Names & synonyms

2-chloro-6-methoxyquinoline-3-carbaldehyde73568-29-32-Chloro-6-methoxyquinoline-3-carboxaldehydeDTXSID10351035RefChem:469678DTXCID50302102626-712-72-Chloro-6-methoxy-3-quinolinecarboxaldehydeMFCD001605853-Quinolinecarboxaldehyde, 2-chloro-6-methoxy-Oprea1_4311292-chloro-6-methoxy-3-quinolinecarbaldehyde

Show more names

SBB000610ZINC00058230493996_ALDRICHAKOS AU36-M573ASISCHEM T87168AKOS BBS-00007299RARECHEM AK VD 0016TIMTEC-BB SBB000610

2-chloro-6-methoxy-quinoline-3-carbaldehydeSTK794942SB68778CS-0199785EN300-169482-Chloro-3-formyl-6-methoxyquinolineOprea1_295155orb3022559

Database identifiers

CAS: 73568-29-3
PubChem CID: 689079
DTXSID: DTXSID10351035
ChEMBL: CHEMBL4514847
EC Number: 626-712-7
Nikkaji: J1.114.389J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 149 · 149-151 °C(lit.)
Boiling point: 373.9 · 373.9±37.0 °C(Predicted)
Density: 1.348 · 1.348±0.06 g/cm3(Predicted)
Flash point: -9 ° · -9°(16°F)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.29 · -1.29±0.50(Predicted)
Appearance: Light yellow to yellow Solid
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
InChI: 1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChIKey: TZQOMBXDCIPJKW-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc2cc(OC)ccc2nc1Cl
CAS DataBase Reference: 73568 · 73568-29-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
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 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications · 2 items

UsesMainly used as solvents. They are used in intermediate steps for the production of paints, plastics, synthetic resins, and dyes. They are also used in the manufacture of perfumes, solvents, and flavorings. As raw material in organic synthesis.

General Description2-Chloro-6-methoxy-3-quinolinecarboxaldehyde is a substituted quinolinecarboxaldehyde.