2-Chloro-8-methylquinoline-3-carboxaldehyde

HCID 689082

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Substructure search Find similar structures

Basic information

CAS: 73568-26-0
Standard SMILES: Cc1cccc2cc(C=O)c(Cl)nc12
InChIKey: YPBRSXNRWFUUOE-UHFFFAOYSA-N
Molecular formula: C11H8ClNO
Average molar mass: 205.64 g/mol
Monoisotopic mass: 205.02944156

Names & identifiers

Preferred name: 2-Chloro-8-methylquinoline-3-carboxaldehyde
IUPAC: 2-chloro-8-methylquinoline-3-carbaldehyde
English name: 2-CHLORO-8-METHYL-3-QUINOLINE CARBOXALDEHYDE
Molecular formula: C11H8ClNO
Molecular weight: 205.64

Names & synonyms

73568-26-02-Chloro-8-methylquinoline-3-carboxaldehydeRefChem:469771626-711-12-chloro-8-methylquinoline-3-carbaldehyde2-Chloro-8-methyl-3-quinoline carboxaldehydeMFCD022270412-chloro-8-methyl-3-quinolinecarbaldehyde2-Chloro-8-methyl-quinoline-3-carbaldehyde3-Quinolinecarboxaldehyde, 2-chloro-8-methyl-EN300-01131Y10248

Show more names

AKOS AU36-M571ASISCHEM D48938TIMTEC-BB SBB000448IFLAB-BB F0805-00012-CHLORO-8-METHYLQUINOLINE-3-CAR2-Chloro-3-formyl-8-methylquinoline2-CHLORO-8-METHYLQUINOLINE-3-CARBOXALDE2-Chloro-8-methylquinoline-3-carboxaldehye

2-Chloro-8-methylquinoline-3-carboxaldehyde, 98%Z568368942-Chloro-3-formyl-8-methylquinoline; 2-Chloro-8-methyl-3-quinolinecarbaldehydeBCP331762-chloro-8-methyl-3-quinoline carbaldehydeConcanavalin ADISCONTINUEDSCHEMBL458716CHEMBL4436994

Database identifiers

CAS: 73568-26-0
PubChem CID: 689082
DTXSID: DTXSID90351038
ChEMBL: CHEMBL4436994
EC Number: 626-711-1
Nikkaji: J1.117.028E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 138 · 138-141 °C (lit.)
Boiling point: 350.8 · 350.8±37.0 °C(Predicted)
Density: 1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: -1.29 · -1.29±0.50(Predicted)
form: Crystalline Powder
color: Yellow to yellow-brown
InChI: 1S/C11H8ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-6H,1H3
InChIKey: YPBRSXNRWFUUOE-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc2cccc(C)c2nc1Cl
CAS DataBase Reference: 73568 · 73568-26-0(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: 261 · P261-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 · 26-36
WGK Germany: 3 · 3
HS Code: 29334990 · 29334990
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29334990
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

Chemistry & industry

Applications · 1 item

Uses2-Chloro-8-methylquinoline-3-carboxaldehyde acts as a reagent in the synthesis of 2-Azetidinones from 2-chloro-8-Me-3-quinolinecarbaldehyde as potential antimicrobial agents, preparation and antibacterial activity of thiazoloquinoline Schiff bases as potential antibacterial agents.