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39183-20-5,MFCD03425888
Catalog No.:AA0075ZJ

39183-20-5 | 2-Methyl-5-nitro-6-chlorophenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$24.00   $17.00
- +
5g
98%
in stock  
$27.00   $19.00
- +
25g
95%
in stock  
$51.00   $36.00
- +
100g
95%
in stock  
$131.00   $92.00
- +
500g
95%
in stock  
$361.00 $253.00
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0075ZJ
Chemical Name:
2-Methyl-5-nitro-6-chlorophenol
CAS Number:
39183-20-5
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD03425888
SMILES:
[O-][N+](=O)c1ccc(c(c1Cl)O)C
Properties
Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,#12,p.2059-2063

[2]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

[2]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

[1]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

39183-20-5   
2-chloro-3-methoxy-4-oxazol-5-yl-phenylamine 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

Literature

Title: Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds.

Journal: Chemosphere 20100101

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SDS
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340131-70-6
Tags:39183-20-5 Molecular Formula|39183-20-5 MDL|39183-20-5 SMILES|39183-20-5 2-Methyl-5-nitro-6-chlorophenol
Catalog No.: AA0075ZJ
39183-20-5,MFCD03425888
39183-20-5 | 2-Methyl-5-nitro-6-chlorophenol
Pack Size： 1g
Purity： 98%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 98%
in stock
$27.00 $19.00
Pack Size： 25g
Purity： 95%
in stock
$51.00 $36.00
Pack Size： 100g
Purity： 95%
in stock
$131.00 $92.00
Pack Size： 500g
Purity： 95%
in stock
$361.00 $253.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0075ZJ
Chemical Name: 2-Methyl-5-nitro-6-chlorophenol
CAS Number: 39183-20-5
Molecular Formula: C7H6ClNO3
Molecular Weight: 187.5804
MDL Number: MFCD03425888
SMILES: [O-][N+](=O)c1ccc(c(c1Cl)O)C
Properties
Complexity: 182  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
5428-54-6    39183-20-5 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,#12,p.2059-2063

[2]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

Downstream Synthesis Route
5428-54-6    39183-20-5 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

[2]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

39183-20-5    861619-63-8 

[1]JustusLiebigsAnnalenderChemie,1918,vol.417,p.248

39183-20-5    74-88-4    19240-94-9 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

39183-20-5    678969-95-4 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

39183-20-5   
2-chloro-3-methoxy-4-oxazol-5-yl-phenylamine 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.2059-2063

Literature fold

Title: Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds.

Journal: Chemosphere20100101

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