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Home Halogens 3-Chlorobenzotrifluoride

3-Chlorobenzotrifluoride

CAS No.:
98-15-7
Catalog Number:
AG0039C3
Molecular Formula:
C7H4ClF3
Molecular Weight:
180.5549
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG0039C3
Chemical Name:
3-Chlorobenzotrifluoride
CAS Number:
98-15-7
Molecular Formula:
C7H4ClF3
Molecular Weight:
180.5549
MDL Number:
MFCD00000594
IUPAC Name:
1-chloro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChI Key:
YTCGOUNVIAWCMG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(F)(F)F
EC Number:
202-642-9
NSC Number:
10308
UN Number:
2234
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.995g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.554g/mol
Monoisotopic Mass:
179.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
1,3-Phenyl-ene bis-{3-[2-chloro-4-(tri-fluoro-meth-yl)phen-oxy]benzoate}. Acta crystallographica. Section E, Structure reports online 20120801
Regioselective lithium diisopropylamide-mediated ortholithiation of 1-chloro-3-(trifluoromethyl)benzene: role of autocatalysis, lithium chloride catalysis, and reversibility. Journal of the American Chemical Society 20110511
Properties