2-Methylquinoline-6-carboxylic acid

HCID 604483CAS 635-80-3

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Grundinformationen

Standard-SMILES: Cc1ccc2cc(C(=O)O)ccc2n1
InChIKey: IZONZQFTYGVOOO-UHFFFAOYSA-N
Summenformel: C11H9NO2
Durchschnittliche Molmasse: 187,19 g/mol
Monoisotopische Masse: 187,06332853

Namen und Bezeichner

Bevorzugter Name: 2-Methylquinoline-6-carboxylic acid
IUPAC: 2-methylquinoline-6-carboxylic acid
Englischer Name: 2-Methyl-6-quinolinecarboxylic acid
Summenformel: C11H9NO2
Molmasse: 187.19

Namen und Synonyme

2-methylquinoline-6-carboxylic acid635-80-3DTXSID10345434RefChem:476265DTXCID00296507808-171-02-Methyl-6-quinolinecarboxylic acidMFCD007485046-Quinolinecarboxylic acid, 2-methyl-2-Methylquinoline-6-carboxylicacidOprea1_304328Oprea1_312688

Weitere Namen anzeigen

Quinaldine-6-carboxylic acid2-Methyl-6-QuinolinecarboxylicAci6-Quinolinecarboxylicacid, 2-Methyl-2-Methylquinoline-6-carboxylicacid,97%2-Methylquinoline-6-carboxylic Acid >2-Methylquinoline-6-carboxylic acid 99%2-Methyl-6-quinolinecarboxylic acid ,97%2-Methyl-6-quinolinecarboxylic acid ISO 9001：2015 REACH

6-carboxy-2-methyl quinolineSCHEMBL999160orb3031320SCHEMBL27960111SCHEMBL304642992-methylquinoline6-carboxylic acidFr12571SBB053291

Datenbank-Bezeichner

CAS: 635-80-3
PubChem CID: 604483
DTXSID: DTXSID10345434
EC Number: 808-171-0
Nikkaji: J135.620H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 250 °C · 250 °C
Siedepunkt: 347.6 · 347.6±27.0 °C(Predicted)
Dichte: 1.285 · 1.285±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.13 · 3.13±0.30(Predicted)
Aggregatzustand: Solid
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C11H9NO2/c1-7-2-3-8-6-9(11(13)14)4-5-10(8)12-7/h2-6H,1H3,(H,13,14)
InChIKey: IZONZQFTYGVOOO-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C(O)=O)=CC=2)C=CC=1C
CAS Datenbank: 635 · 635-80-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 5 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.