(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride

HCID 3080792CAS 39637-99-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CO[C@](C(=O)Cl)(c1ccccc1)C(F)(F)F
InChIKey: PAORVUMOXXAMPL-VIFPVBQESA-N
Summenformel: C10H8ClF3O2
Durchschnittliche Molmasse: 252,62 g/mol

Überblick

acylating agent used to determine enantiomeric purity of amines & alcohols; RN given refers to (-)-isomer; structure

Namen und Bezeichner

Bevorzugter Name: (-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride
IUPAC: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
Englischer Name: (S)-(+)-alpha-Methoxy-alpha-trifluoromethylphenylacetyl chloride
Summenformel: C10H8ClF3O2
Molmasse: 252.62

Namen und Synonyme

39637-99-5(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride81UT10UHV3RefChem:390937(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride(r)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride(R)-(-)-MTPA-ClMFCD00044400(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride(R)-(-)-a-Methoxy-a-trifluoromethylphenylacetyl chloride(-)-Mosher's Acid Chloride(-)-MTPA-Cl

Weitere Namen anzeigen

MOSHER'S ACID CHLORIDE(R)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride(+)-MTPA-CL(R)-(−(S)-(+)-MTPA-CL(R)-(-)-Acid chloride(+)-MOSHER'S CHLORIDE(+)-MOSHER'S ACID CHLORIDE

(2R)-(-)-2-Methoxy-2-phenyl-3,3,3-trifluoropropanoyl chloride(-)-|A-Methoxy-|A-(trifluoromethyl)phenylacetyl ChlorideUNII-81UT10UHV3(R)-(-)-alpha-Methoxy-alpha-trifluoromethylphenylacetyl chloride(R)-MTPA CHLORIDE(-)-MTPA CHLORIDE(R)-Mosher'S Acid ChlorideSCHEMBL527656

Datenbank-Bezeichner

CAS: 39637-99-5
PubChem CID: 3080792
UNII: 81UT10UHV3
EC Number: 621-758-4
Nikkaji: J1.032.962K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 261

Physikochemische Eigenschaften

Siedepunkt: 213 · 213-214 °C(lit.)
Dichte: 1.35 g/mL · 1.35 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.469(lit.)
Flammpunkt: 194 °F · 194 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wichte: 1.353 · 1.353
Wasserlöslichkeit: Sparingly miscible with water.
Merck: 14 · 14,6280
BRN: 3591565 · 3591565
InChI: 1S/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKey: PAORVUMOXXAMPL-VIFPVBQESA-N
SMILES: CO[C@](C(Cl)=O)(c1ccccc1)C(F)(F)F
CAS Datenbank: 39637 · 39637-99-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29189900
risk_code: 34
hazard_code: C
hazard_note: Corrosive/Freeze
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride is used as a chiral acylating reagent, which is used in the resolution of amino acid enantiomers like 2,5-dimethoxy-4-methylamphetamine. It is also suitable for the determination of the optical composition of compounds extracted from biological fluids.