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Home Halogens 2,3,6-Trichlorotoluene

2,3,6-Trichlorotoluene

CAS No.:
2077-46-5
Catalog Number:
AG002J88
Molecular Formula:
C7H5Cl3
Molecular Weight:
195.4736
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$94
- +
5g
97%
In Stock USA
United States
$275
- +
10g
97%
In Stock USA
United States
$475
- +
25g
97%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG002J88
Chemical Name:
2,3,6-Trichlorotoluene
CAS Number:
2077-46-5
Molecular Formula:
C7H5Cl3
Molecular Weight:
195.4736
MDL Number:
MFCD00013623
IUPAC Name:
1,2,4-trichloro-3-methylbenzene
InChI:
InChI=1S/C7H5Cl3/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
InChI Key:
UZYYBZNZSSNYSA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Cl)C)Cl
EC Number:
218-202-4
UNII:
19M2L15Z6U
NSC Number:
155908
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.946g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.467g/mol
Monoisotopic Mass:
193.946g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120801
Analytical method development using functionalized polysulfone membranes for the determination of chlorinated hydrocarbons in water. Talanta 20111215
Properties