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40340-41-8,MFCD07687105
Catalog No.:AA00I7U1

40340-41-8 | 5-(Chloromethyl)-3-methylisoxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$345.00   $242.00
- +
1g
95%
in stock  
$412.00   $288.00
- +
5g
95%
in stock  
$1,642.00   $1,149.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I7U1
Chemical Name:
5-(Chloromethyl)-3-methylisoxazole
CAS Number:
40340-41-8
Molecular Formula:
C5H6ClNO
Molecular Weight:
131.5602
MDL Number:
MFCD07687105
SMILES:
Cc1cc(on1)CCl
Properties
Computed Properties
 
Complexity:
78.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Synonyms
 
  
Downstream Synthesis Route

[1]AngewandteChemie-InternationalEdition,2016,vol.55,p.8353-8357    Angew.Chem.,2016,vol.128,p.8493-8497,5

[2]AttidellaSocietaPeloritanadiScienzeFisiche,MatematicheeNaturali,1957,vol.3,p.179,185

40340-41-8    565180-19-0   
(405)T7160 

[1]Bogolubsky,AndreyV.;Moroz,YuriiS.;Mykhailiuk,PavelK.;Ostapchuk,EugeniyN.;Rudnichenko,AlexanderV.;Dmytriv,YuriiV.;Bondar,AnnaN.;Zaporozhets,OlgaA.;Pipko,SergeyE.;Doroschuk,RomanA.;Babichenko,LiudmylaN.;Konovets,AnzhelikaI.;Tolmachev,Andrey[ACSCombinatorialScience,2015,vol.17,#6,p.348-354]

40340-41-8    94318-76-0   
(249)T7116 

[1]ACSCombinatorialScience,2015,vol.17,p.348-354

[1]AngewandteChemie-InternationalEdition,2016,vol.55,p.8353-8357    Angew.Chem.,2016,vol.128,p.8493-8497,5

40340-41-8    38521-46-9   
C11H10N2O3S 

[1]Patent:WO2017/222930,2017,A1.Locationinpatent:Page/Pagecolumn133

Literature
Quotation Request
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SDS
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Tags:40340-41-8 Molecular Formula|40340-41-8 MDL|40340-41-8 SMILES|40340-41-8 5-(Chloromethyl)-3-methylisoxazole
Catalog No.: AA00I7U1
40340-41-8,MFCD07687105
40340-41-8 | 5-(Chloromethyl)-3-methylisoxazole
Pack Size： 250mg
Purity： 95%
in stock
$345.00 $242.00
Pack Size： 1g
Purity： 95%
in stock
$412.00 $288.00
Pack Size： 5g
Purity： 95%
in stock
$1,642.00 $1,149.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00I7U1
Chemical Name: 5-(Chloromethyl)-3-methylisoxazole
CAS Number: 40340-41-8
Molecular Formula: C5H6ClNO
Molecular Weight: 131.5602
MDL Number: MFCD07687105
SMILES: Cc1cc(on1)CCl
Properties
Complexity: 78.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 8  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
42:   
Downstream Synthesis Route
14716-89-3    40340-41-8 

[1]AngewandteChemie-InternationalEdition,2016,vol.55,p.8353-8357    Angew.Chem.,2016,vol.128,p.8493-8497,5

[2]AttidellaSocietaPeloritanadiScienzeFisiche,MatematicheeNaturali,1957,vol.3,p.179,185

40340-41-8    565180-19-0   
(405)T7160 

[1]Bogolubsky,AndreyV.;Moroz,YuriiS.;Mykhailiuk,PavelK.;Ostapchuk,EugeniyN.;Rudnichenko,AlexanderV.;Dmytriv,YuriiV.;Bondar,AnnaN.;Zaporozhets,OlgaA.;Pipko,SergeyE.;Doroschuk,RomanA.;Babichenko,LiudmylaN.;Konovets,AnzhelikaI.;Tolmachev,Andrey[ACSCombinatorialScience,2015,vol.17,#6,p.348-354]

40340-41-8    94318-76-0   
(249)T7116 

[1]ACSCombinatorialScience,2015,vol.17,p.348-354

63366-79-0    40340-41-8 

[1]AngewandteChemie-InternationalEdition,2016,vol.55,p.8353-8357    Angew.Chem.,2016,vol.128,p.8493-8497,5

40340-41-8    38521-46-9   
C11H10N2O3S 

[1]Patent:WO2017/222930,2017,A1.Locationinpatent:Page/Pagecolumn133

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