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6590-94-9,MFCD00037828
Catalog No.:AA003IDM
6590-94-9 | 3,4-Dichlorophenyl isothiocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$35.00   $24.00
- +
25g
98%
in stock  
$106.00   $74.00
- +
100g
98%
in stock  
$356.00   $249.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDM
Chemical Name:
3,4-Dichlorophenyl isothiocyanate
CAS Number:
6590-94-9
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00037828
IUPAC Name:
1,2-dichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
OSBIEFWIIINTNJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Cl)Cl
EC Number:
229-526-0
NSC Number:
220236
Properties
Computed Properties
 
Complexity:
179  
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:
4.8  

Synonyms
 
3,4-Dichlorophenyl isothiocyanate 
6590-94-9 
ISOTHIOCYANIC ACID, 3,4-DICHLOROPHENYL ESTER 
MFCD00037828 
1,2-dichloro-4-isothiocyanato-benzene 
Benzene,1,2-dichloro-4-isothiocyanato- 
ACMC-20anfc 
AC1L2LLC 
AC1Q3HMJ 
4-12-00-01271 (Beilstein Handbook Reference) 
SCHEMBL1052023 
CTK5C3252 
1,2-Dichloro-4-isothiocyanatobenzene 
DTXSID10216115 
ZINC164744 
NSC220236 
SBB093229 
AKOS000279631 
3,4-Dichloro-1-isothiocyanato-benzene 
GS-5479 
MCULE-1601079086 
NE18804 
NSC-220236 
Benzene, 1,2-dichloro-4-isothiocyanato- 
1,2-Dichloro-4-isothiocyanatobenzene # 
3,4-Dichlorophenyl isothiocyanate, 97% 
LS-86413 
DB-021869 
TC-170031 
1,2-bis(chloranyl)-4-isothiocyanato-benzene 
D4926 
FT-0728406 
Isothiocyanic Acid 3,4-Dichlorophenyl Ester 
ST50825523 
3,4-Dichlorophenylisothiocyanate 
TL80073710 
A835274 
I01-8754 
J-802102 
F0001-1759 
4-methoxyphenyl cyanate 
C7-H3-Cl2-N-S 
3,4-dichlorobenzenisothiocyanate 
CID23065 
3,4-Dichlorophenyl isothiocyanate, 97% - 25G 25g 
EINECS 229-526-0 
NSC 220236 
BRN 0511101 
OSBIEFWIIINTNJ-UHFFFAOYSA-N 
Benzene, 1,2-dichloro-4-isothiocyanato- (9CI) 
Literature
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