Skip to Content
Merck
All Photos(1)

Documents

Safety Information

49554

Sigma-Aldrich

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

≥98.0% (GC)

Sign Into View Organizational & Contract Pricing


About This Item

Empirical Formula (Hill Notation):
C10H8F6O
CAS Number:
Molecular Weight:
258.16
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:

Assay

≥98.0% (GC)

form

solid

optical activity

[α]/D +27±1°, c = 1 in acetonitrile

optical purity

enantiomeric ratio: 97:3 (GC)

mp

53-58 °C

SMILES string

C[C@@H](O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI

1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1

InChI key

MMSCIQKQJVBPIR-RXMQYKEDSA-N

General description

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is a key intermediate for the synthesis of aprepitant, a potent human neurokinin-1 (NK-1) receptor.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

49554-VAR:
49554-BULK:
49554-5G:
49554-25G:


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Efficient Synthesis of (1R)-[3, 5-Bis (trifluoromethyl) phenyl] Ethanol, a Key Intermediate for Aprepitant, an NK-1 Receptor Antagonist.
Vankawala PJ, et al.
Synthetic Communications, 37(19), 3439-3446 (2007)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service