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40750-59-2,MFCD00052850
Catalog No.:AA003IDI
40750-59-2 | 3,4-Dichloro-n-methylaniline
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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$56.00   $39.00
- +
5g
98%
in stock  
$172.00   $120.00
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25g
98%
in stock  
$683.00   $478.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDI
Chemical Name:
3,4-Dichloro-n-methylaniline
CAS Number:
40750-59-2
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
MDL Number:
MFCD00052850
IUPAC Name:
3,4-dichloro-N-methylaniline
InChI:
InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChI Key:
DUSNCFKVMGTTFK-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1)Cl)Cl
Properties
Computed Properties
 
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
3,4-Dichloro-N-methylaniline 
40750-59-2 
DTXSID20384197 
ZINC167054 
ACT00129 
Benzenamine,3,4-dichloro-N-methyl- 
ANW-54345 
MFCD00052850 
SBB051773 
3,4-Dichloro-N-methylaniline, 97% 
AKOS000254837 
Benzenamine, 3,4-dichloro-N-methyl- 
DUSNCFKVMGTTFK-UHFFFAOYSA-N 
AM85758 
AS05344 
CM11409 
MCULE-9148318286 
AJ-16577 
AK-81428 
SC-93092 
ST2404576 
TC-143090 
(3,5-DICHLORO-PHENYL)-METHYL-AMINE 
N1-Methyl-3,4-dichloroaniline 
FT-0614254 
ST50408078 
W6130 
X-1640 
W-202676 
I14-108460 
C7H7Cl2N 
3,5-Dichloro-N-methylaniline 
(3,4-dichlorophenyl)methylamine 
ZINC00167054 
ACMC-1AQGQ 
CID2800931 
AC1MCU5X 
n-methyl-3,4-dichloroaniline 
SCHEMBL856883 
AMBZ0320 
CTK4I3672 
Literature

Title: Effects of dissolved organic carbon on sorption of 3,4-dichloroaniline and 4-bromoaniline in a calcareous soil.

Journal: Chemosphere 20050401

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