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6590-93-8,MFCD00041072
Catalog No.:AA003IJ6
6590-93-8 | 3,5-DICHLOROPHENYL ISOTHIOCYANATE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
1 week  
$147.00   $103.00
- +
5g
98%
1 week  
$211.00   $148.00
- +
25g
98%
1 week  
$472.00   $330.00
- +
100g
98%
1 week  
$875.00   $613.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IJ6
Chemical Name:
3,5-DICHLOROPHENYL ISOTHIOCYANATE
CAS Number:
6590-93-8
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00041072
IUPAC Name:
1,3-dichloro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI Key:
JLEMKZDHFGCHLO-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)cc(c1)Cl
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.936g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.068g/mol
Monoisotopic Mass:
202.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

Synonyms
 
3,5-Dichlorophenyl isothiocyanate 
6590-93-8 
AC1L3DJY 
AC1Q3HZR 
AC1Q3HZS 
SCHEMBL1457225 
3,5-dichloroisothiocyanatobenzene 
CTK5C3251 
DTXSID50216114 
ZINC164704 
SBB093234 
AKOS005198762 
1,3-Dichloro-5-isothiocyanatobenzene 
FS-3905 
MCULE-9238039060 
NE19358 
1,3-Dichloro-5-isothiocyanatobenzene # 
Benzene,1,3-dichloro-5-isothiocyanato- 
3,5-Dichlorophenyl isothiocyanate, 98% 
DB-022039 
TC-169953 
1,3-bis(chloranyl)-5-isothiocyanato-benzene 
FT-0614569 
3,5-DICHLOROPHENylisoTHIOCYANATE 
ST50825524 
EN300-15213 
A835273 
J-802105 
I01-16973 
4-OCTYNE 
CID138776 
ZINC00164704 
JLEMKZDHFGCHLO-UHFFFAOYSA-N 
MFCD00041072 
1,3-Dichloro-5-isothiocyanato-benzene 
Benzene, 1,3-dichloro-5-isothiocyanato- 
3,5-dichlorobenzenisothiocyanate 
ACMC-20and6 
Literature

Title: The factors that influence the elution order for the resolution of amino acids on vancomycin phase using the polar-organic mobile phases after their pre-column derivatization with electrophilic reagents.

Journal: Biomedical chromatography : BMC 20050701

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