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670960

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

Name: (<I>S</I>)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol
Brand: ALDRICH

≥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

NACRES:

NA.22

PubChem Substance ID:

329760395

UNSPSC Code:

12352005

MDL number:

MFCD10566964

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Properties

Quality Segment

200

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

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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