Home Fluorides 111991-14-1
111991-14-1,MFCD09950047
Catalog No.:AA007CVL
111991-14-1 | Oxirane, [4-(trifluoromethyl)phenyl]-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$572.00
- +
500mg
95.0%
3 weeks  
$642.00
- +
1g
95.0%
3 weeks  
$708.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA007CVL
Chemical Name:
Oxirane, [4-(trifluoromethyl)phenyl]-
CAS Number:
111991-14-1
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD09950047
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]oxirane
InChI:
InChI=1S/C9H7F3O/c10-9(11,12)7-3-1-6(2-4-7)8-5-13-8/h1-4,8H,5H2
InChI Key:
KGAKWTQCQUVXEF-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1OC1)(F)F
Properties
Computed Properties
 
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-[4-(trifluoromethyl)phenyl]oxirane 
111991-14-1 
AKOS000195731 
NE35609 
rac-2-(4-trifluoromethylphenyl)-oxirane 
SC-88886 
EN300-42550 
InChI=1/C9H7F3O/c10-9(11,12)7-3-1-6(2-4-7)8-5-13-8/h1-4,8H,5H 
CID9990016 
(2R)-2-[4-(trifluoromethyl)phenyl]oxirane 
(2S)-2-[4-(trifluoromethyl)phenyl]oxirane 
135312-20-8 
Oxirane, [4-(trifluoromethyl)phenyl]- 
252877-04-6 
ACMC-20mf9l 
AC1Q4J2X 
SCHEMBL1461302 
CTK0G1623 
DTXSID70433740 
KGAKWTQCQUVXEF-UHFFFAOYSA-N 
[4-(trifluoromethyl)phenyl]oxirane 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Related Products