2-Methyl-5-(trifluoromethyl)benzoic acid
Grundinformationen
- CAS
13055-63-5- Standard-SMILES
Cc1ccc(C(F)(F)F)cc1C(=O)O- InChIKey
STJUSBSLJXOSDU-UHFFFAOYSA-N- Summenformel
- C9H7F3O2
- Durchschnittliche Molmasse
- 204,15 g/mol
- Monoisotopische Masse
- 204,03981412
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-5-(trifluoromethyl)benzoic acid
- IUPAC
- 2-methyl-5-(trifluoromethyl)benzoic acid
- Englischer Name
- 2-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
- Summenformel
- C9H7F3O2
- Molmasse
- 204.15
Namen und Synonyme
2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5DTXSID50379596RefChem:88173DTXCID50330622630-210-32-Methyl-5-trifluoromethylbenzoic acidMFCD01631589Benzoic acid, 2-methyl-5-(trifluoromethyl)-SCHEMBL7104312-METHYL-5-(TRIFLUOROMETHYL)BENZOICACID2-methyl-5-trifluoromethylbenzoicacid
Weitere Namen anzeigen
RARECHEM AL BO 21393-Carboxy-4-methylbenzotrifluorideMethyl-5- (trifluoromethyl) benzoic acid2-Methyl-5-(trifluoromethyl)benzoicacid,95%2-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID, 97% MIN.
SCHEMBL8483782CL8054SBB0646205-trifluoromethyl-2-methylbenzoic acidAKOS005258634CS-W015425PS-8152AC-26059
Datenbank-Bezeichner
- CAS
13055-63-5- PubChem CID
- 2775585
- DTXSID
DTXSID50379596- EC Number
- 630-210-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 225
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125°C
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- crystalline needles
- Farbe
- White
- CAS Datenbank
- 13055 · 13055-63-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.3%): 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)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Sicherheitsdaten
- hs_code
- 29163990
- risk_code
- 22-36-51-36/37/38
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37
Chemie und Industrie
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