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670960

Sigma-Aldrich

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol

≥99.0%

Synonym(s):

(S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}pyrrolidine

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About This Item

Empirical Formula (Hill Notation):
C21H15F12NO
CAS Number:
848821-76-1
Molecular Weight:
525.33
MDL number:
MFCD10566964
UNSPSC Code:
12352005
PubChem Substance ID:
329760395
NACRES:
NA.22

Assay

≥99.0% (HPLC)
≥99.0%

optical purity

ee: ≥99.0% (HPLC)

mp

113-117 °C

functional group

fluoro
hydroxyl

storage temp.

2-8°C

SMILES string

OC([C@@H]1CCCN1)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F

InChI

1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1

InChI key

ITXPGQOGEYWAKW-INIZCTEOSA-N

Related Categories

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BGBC3046V
BGBB7524
1437736
1394593
1381186

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