Grundinformationen
- Standard-SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)O- InChIKey
DRFFZMPSUPHSJN-UHFFFAOYSA-N- Summenformel
- C12H8F3NO2S
- Durchschnittliche Molmasse
- 287,26 g/mol
- Monoisotopische Masse
- 287,02278416
Namen und Bezeichner
- Bevorzugter Name
- 4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
- IUPAC
- 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
- Englischer Name
- 4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLIC ACID
- Summenformel
- C12H8F3NO2S
- Molmasse
- 287.26
Namen und Synonyme
144059-86-94-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acidRefChem:2941674-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic acidMFCD000681054-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid2-(4-(Trifluoromethyl)phenyl)-4-methylthiazole-5-carboxylic acidMaybridge1_0088012-[4-(trifluoromethyl)phenyl]-4-methylthiazole-5-carboxylic acid
Weitere Namen anzeigen
BUTTPARK 43\57-61TIMTEC-BB SBB0054434-methyl-2-[4-(trifluoromethyl)4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-Methyltrifluoromethylphenylthiazolecarboxylicacid4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-acid4-Methyl-2-[4-(trifluoromethyl)phenyl]thiazole-5-carboxylic ...
DRFFZMPSUPHSJN-UHFFFAOYSA-N5-Thiazolecarboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-SCHEMBL981341orb1222697orb1302969HMS566I01DTXSID003796424-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic
Datenbank-Bezeichner
- CAS
144059-86-9- PubChem CID
- 2775663
- DTXSID
DTXSID00379642- EC Number
- 671-952-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 78,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 342
Physikochemische Eigenschaften
- Schmelzpunkt
- 237 °C · 237 °C
- Siedepunkt
- 413.2 · 413.2±55.0 °C(Predicted)
- Dichte
- 1.438 · 1.438±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 2.26 · 2.26±0.37(Predicted)
- Farbe
- White to Off-White
- InChI
- 1S/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
- InChIKey
- DRFFZMPSUPHSJN-UHFFFAOYSA-N
- SMILES
- Cc1nc(sc1C(O)=O)-c2ccc(cc2)C(F)(F)F
- CAS Datenbank
- 144059 · 144059-86-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2934100090
- risk_code
- 20/21/22-36/37/38-25
- hazard_code
- Xi,T
- hazard_note
- Irritant/Stench
- safety_code
- 22-36/37/39-37/39-26-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
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