CAS 62482-26-2 Methyl 2-chloroquinoline-4-carboxylate (HCID 5202936)

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Basic information

CAS: 62482-26-2
Standard SMILES: COC(=O)c1cc(Cl)nc2ccccc12
InChIKey: TZKVCCWVZWZXKK-UHFFFAOYSA-N
Molecular formula: C11H8ClNO2
Average molar mass: 221.64 g/mol
Monoisotopic mass: 221.02435618

Names & identifiers

Preferred name: Methyl 2-chloroquinoline-4-carboxylate
IUPAC: methyl 2-chloroquinoline-4-carboxylate
English name: methyl 2-chloroquinoline-4-carboxylate(SALTDATA: FREE)
Molecular formula: C11H8ClNO2
Molecular weight: 221.64

Names & synonyms

methyl 2-chloroquinoline-4-carboxylate62482-26-2DTXSID50409645RefChem:354210DTXCID80360497865-151-42-Chloro-quinoline-4-carboxylic acid methyl esterMFCD03413689HMS2728A124-Quinolinecarboxylic acid, 2-chloro-, methyl esterMethyl2-chloroquinoline-4-carboxylate2-chloroquinoline-4-carboxylic acid methyl ester

Show more names

Methyl 2-chloro-4-quinolinecarboxylatemethyl 2-chloroquinoline-4-carboxylate(SALTDATA: FREE)

MLS000689345SCHEMBL1900613CHEMBL1492410SCHEMBL303656592-chloro-4-carbomethoxyquinolineTZKVCCWVZWZXKK-UHFFFAOYSA-NHMS1646M19ALBB-005453

Database identifiers

CAS: 62482-26-2
PubChem CID: 5202936
DTXSID: DTXSID50409645
ChEMBL: CHEMBL1492410
EC Number: 865-151-4
Nikkaji: J1.748.659D

Properties

Computed structural properties

XLogP: 3
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: 247

Experimental & physicochemical properties

Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 89 · 89-91°
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 260 · P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338

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: H302-H315-H319-H335
Precautionary statements: P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338