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1591-99-7,MFCD00013851
Catalog No.:AA001QEF

1591-99-7 | 2,3-Dimethylphenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$43.00   $30.00
- +
5g
97%
in stock  
$103.00   $73.00
- +
10g
97%
in stock  
$145.00   $102.00
- +
25g
97%
in stock  
$311.00   $218.00
- +
100g
97%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001QEF
Chemical Name:
2,3-Dimethylphenyl isocyanate
CAS Number:
1591-99-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00013851
SMILES:
Cc1c(cccc1C)N=C=O
Properties
Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.5  

Downstream Synthesis Route
59669-59-9    1591-99-7   
1-(3-<i>tert</i>-butyl-isoxazol-5-yl)-3-(2,3-dimethyl-phenyl)-urea 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.2047-2050

70243-51-5    1591-99-7   
N-(9-benzyl-9-azabicyclo3.3.1nonan-3α-yl)-N'-(2,3-dimethylphenyl)carbamate 

[1]Mach;Yang;Wu;Kuhner;Whirrett;West[MedicinalChemistryResearch,2001,vol.10,#6,p.339-355]

1591-99-7    84807-09-0   
N-(2,3-dimethylphenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide 

[1]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.2675-2678

Literature
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SDS
Tags:1591-99-7 Molecular Formula|1591-99-7 MDL|1591-99-7 SMILES|1591-99-7 2,3-Dimethylphenyl isocyanate