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Home Nitros 1-Chloro-4-nitro-2-(trifluoromethyl)benzene

1-Chloro-4-nitro-2-(trifluoromethyl)benzene

CAS No.:
777-37-7
Catalog Number:
AG003GZH
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$39
- +
25g
99%(GC)
In Stock USA
United States
$46
- +
100g
99%(GC)
In Stock USA
United States
$66
- +
500g
99%(GC)
In Stock USA
United States
$251
- +
Product Description
Catalog Number:
AG003GZH
Chemical Name:
1-Chloro-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
777-37-7
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD00007296
IUPAC Name:
1-chloro-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChI Key:
HQROXDLWVGFPDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Cl
EC Number:
212-287-1
NSC Number:
9467
UN Number:
2307
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Kinetics of the reaction between 2-phenylpropionitrile and 2-chloro-5-nitrotrifluoromethylbenzene under phase-transfer catalysis. The Journal of organic chemistry 20050610
Properties