Home Carboxes 129716-11-6
129716-11-6,MFCD06201140
Catalog No.:AA000TIL

129716-11-6 | 4-Chloro-2-methylbenzyl alcohol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$72.00   $50.00
- +
5g
98%
in stock  
$186.00   $130.00
- +
10g
98%
in stock  
$331.00   $232.00
- +
25g
98%
in stock  
$677.00   $474.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000TIL
Chemical Name:
4-Chloro-2-methylbenzyl alcohol
CAS Number:
129716-11-6
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
MDL Number:
MFCD06201140
SMILES:
OCc1ccc(cc1C)Cl
Properties
Properties
 
BP:
258.8°C at 760 mmHg  
Form:
Solid  
MP:
60-64 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
105  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MCSLABORATORIES-US2008/153905,2008,A1Locationinpatent:Page/Pagecolumn4

[2]Osdene,T.S.etal.[JournalofMedicinalChemistry,1967,vol.10,p.431-434]

[3]CurrentPatentAssignee:UNIVERSITYOFKANSAS-WO2011/5759,2011,A2Locationinpatent:Page/Pagecolumn69

[4]CurrentPatentAssignee:UNIVERSITYOFKANSAS-US2006/47126,2006,A1Locationinpatent:Page/Pagecolumn25

[1]Amodeo,Rachele;Baciocchi,Enrico;Crescenzi,Manuela;Lanzalunga,Osvaldo[TetrahedronLetters,1990,vol.31,#24,p.3477-3480]

[2]Amodeo,Rachele;Baciocchi,Enrico;Crescenzi,Manuela;Lanzalunga,Osvaldo[TetrahedronLetters,1990,vol.31,#24,p.3477-3480]

[3]Baciocchi,Enrico;Crescenzi,Manuela[Tetrahedron,1988,vol.44,#20,p.6525-6536]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;PFIZERINC-WO2005/51304,2005,A2Locationinpatent:Page/Pagecolumn120-121

[2]Kelley;Linn;Selway[JournalofMedicinalChemistry,1989,vol.32,#8,p.1757-1763]

[3]CurrentPatentAssignee:MCSLABORATORIES-US2008/153905,2008,A1

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.3463-3468

[1]Liu,Hui-Min;Jian,Lei;Li,Chao;Zhang,Chun-Chun;Fu,Hai-Yan;Zheng,Xue-Li;Chen,Hua;Li,Rui-Xiang[JournalofOrganicChemistry,2019,vol.84,#14,p.9151-9160]

Literature

Title: Identification of sulfation sites of metabolites and prediction of the compounds' biological effects.

Journal: Analytical and bioanalytical chemistry 20061001

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:129716-11-6 Molecular Formula|129716-11-6 MDL|129716-11-6 SMILES|129716-11-6 4-Chloro-2-methylbenzyl alcohol |Organic_Building_Blocks