Home Categories Chemical Reagents (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
A1336612

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol , 98% , 127852-28-2

CAS NO.:127852-28-2

Empirical Formula: C10H8F6O

Molecular Weight: 258.16

MDL number: MFCD03093010

EINECS: 603-245-7

Pack Size Price Stock Quantity
5G RMB80.80 In Stock
25G RMB349.60 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 53-58℃
Boiling point: 175.8±35.0 °C(Predicted)
Density  1.376±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Acetonitrile (Slightly), Chloroform (Slightly)
pka 13.99±0.20(Predicted)
form  Powder
color  White
optical activity [α]/D +27±1°, c = 1 in acetonitrile
λmax 272nm(MeOH)(lit.)
InChIKey MMSCIQKQJVBPIR-RXMQYKEDSA-N
CAS DataBase Reference 127852-28-2(CAS DataBase Reference)

Description and Uses

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is an intermediate in the synthesis of Aprepitant (A729800), a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.

Safety

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H302-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-52/53-22
Safety Statements  26-36/37/39-61
WGK Germany  3
Hazard Note  Irritant
HS Code  29062990

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