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Home Other Building Blocks 4'-Trifluoromethylphenyl acetylene

4'-Trifluoromethylphenyl acetylene

CAS No.:
705-31-7
Catalog Number:
AG00340V
Molecular Formula:
C9H5F3
Molecular Weight:
170.1312
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$30
- +
5g
98%
In Stock USA
United States
$124
- +
10g
98%
In Stock USA
United States
$207
- +
25g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00340V
Chemical Name:
4'-Trifluoromethylphenyl acetylene
CAS Number:
705-31-7
Molecular Formula:
C9H5F3
Molecular Weight:
170.1312
MDL Number:
MFCD01861903
IUPAC Name:
1-ethynyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI Key:
XTKBMZQCDBHHKY-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.134g/mol
Monoisotopic Mass:
170.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Vapochromic and mechanochromic phosphorescence materials based on a platinum(II) complex with 4-trifluoromethylphenylacetylide. Inorganic chemistry 20120521
Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene. Dalton transactions (Cambridge, England : 2003) 20120321
Properties