2-Chloro-5-(trifluoromethyl)benzylalcohol
Grundinformationen
- CAS
64372-62-9- Standard-SMILES
OCc1cc(C(F)(F)F)ccc1Cl- InChIKey
VEKMDPQNERMQMO-UHFFFAOYSA-N- Summenformel
- C8H6ClF3O
- Durchschnittliche Molmasse
- 210,58 g/mol
- Monoisotopische Masse
- 210,00592715
Namen und Bezeichner
- Bevorzugter Name
- 2-Chloro-5-(trifluoromethyl)benzylalcohol
- IUPAC
- [2-chloro-5-(trifluoromethyl)phenyl]methanol
- Englischer Name
- 2-Chloro-5-(trifluoromethyl)benzyl alcohol
- Summenformel
- C8H6ClF3O
- Molmasse
- 210.58
Namen und Synonyme
2-Chloro-5-(trifluoromethyl)benzylalcoholRefChem:469265623-546-764372-62-92-Chloro-5-(trifluoromethyl)benzyl alcohol[2-chloro-5-(trifluoromethyl)phenyl]methanol2-Chloro-5-trifluoromethylbenzyl alcohol(2-chloro-5-(trifluoromethyl)phenyl)methanolMFCD01631469Benzenemethanol, 2-chloro-5-(trifluoromethyl)-2-CHLORO-5-(TRIFLUOROMETHYL)BENZENEMETHANOLDTXSID80380776
Weitere Namen anzeigen
Jrd-1184RARECHEM AL BD 0369Anacetrapib intermediate2-Chloro-5-(trifloromethyl)benzyl alcohol4-Chloro-3-(hydroxymethyl)benzotrifluoride2-Chloro-5-(trifluoromethyl)benzyl alcohol, 97+%
PS-8010[2-chloro-5-(trifluoromethyl)phenyl]methan-1-ol2-chloro-5-trifluoromethylbenzylalcoholFT-0646423M7QR87GA2HSCHEMBL92949SCHEMBL5235367SCHEMBL16950522
Datenbank-Bezeichner
- CAS
64372-62-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 171
Physikochemische Eigenschaften
- Schmelzpunkt
- 57 · 57-60°C
- Flammpunkt
- 110 °C · 110°C
- storage temp.
- Store at room temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- 1S/C8H6ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2
- InChIKey
- VEKMDPQNERMQMO-UHFFFAOYSA-N
- SMILES
- OCc1cc(ccc1Cl)C(F)(F)F
- CAS Datenbank
- 64372 · 64372-62-9(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
Danger
H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (85.1%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29062990
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- packing_group
- Ⅲ
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2-Chloro-5-(trifluoromethyl)benzyl alcohol is a fluorine-containing benzyl alcohol compound, which can be used as an important chemical for the synthesis of pharmaceuticals and pesticides. 2-Chloro-5-(trifluoromethyl)benzyl alcohol is an intermediate of the Cholesterol Lipid Transfer Protein (CLTP) blocking agent, Anacetrapib.
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