4-Methyl-2-phenyl-thiazole-5-carboxylic acid

HCID 720957CAS 33763-20-1

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Grundinformationen

Standard-SMILES: Cc1nc(-c2ccccc2)sc1C(=O)O
InChIKey: CRSMRBYEBHOYRM-UHFFFAOYSA-N
Summenformel: C11H9NO2S
Durchschnittliche Molmasse: 219,26 g/mol
Monoisotopische Masse: 219,03539953

Namen und Bezeichner

Bevorzugter Name: 4-Methyl-2-phenyl-thiazole-5-carboxylic acid
IUPAC: 4-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid
Englischer Name: 4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
Summenformel: C11H9NO2S
Molmasse: 219.26

Namen und Synonyme

4-Methyl-2-phenyl-thiazole-5-carboxylic acidRefChem:525155692-250-833763-20-14-methyl-2-phenyl-1,3-thiazole-5-carboxylic acid4-Methyl-2-phenylthiazole-5-carboxylic acid5-thiazolecarboxylic acid, 4-methyl-2-phenyl-MFCD001419554-methyl-2-phenyl-5-thiazolecarboxylic acid2-phenyl-4-methylthiazole-5-carboxylic acid5-Carboxy-2-phenylthiazoleMLS000716165

Weitere Namen anzeigen

AKOS BBS-00004452IFLAB-BB F1912-00274-methyl-2-phenyl-5-thiazolecarboxylate4-Methyl-2-phenyl-5-thiazolecarboxylicacid2-Phenyl-4-methyl-5-thiazolecarboxylic acid4-Methyl-2-phenylthiazole-5-carboxylicacid,97%

orb3030815SCHEMBL1327631CHEMBL1374129HMS566O09DTXSID70352189CRSMRBYEBHOYRM-UHFFFAOYSA-NHMS2644L21Fr13329

Datenbank-Bezeichner

CAS: 33763-20-1
PubChem CID: 720957
DTXSID: DTXSID70352189
ChEMBL: CHEMBL1374129
EC Number: 692-250-8
Nikkaji: J2.839.202H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 78,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

Schmelzpunkt: 210 · 210-212°C
Siedepunkt: 424 · 424.0±37.0 °C(Predicted)
Dichte: 1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 1.2 · 1.20±0.37(Predicted)
CAS Datenbank: 33763 · 33763-20-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.