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575-41-7,MFCD00004036
Catalog No.:AA003DHO

575-41-7 | 1,3-DIMETHYLNAPHTHALENE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>95.0%(GC)
in stock  
$103.00   $72.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003DHO
Chemical Name:
1,3-DIMETHYLNAPHTHALENE
CAS Number:
575-41-7
Molecular Formula:
C12H12
Molecular Weight:
156.2237
MDL Number:
MFCD00004036
SMILES:
Cc1cc2ccccc2c(c1)C
NSC Number:
66991
Properties
Properties
 
BP:
263.0°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
150  
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:
0  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1984,vol.49,p.1969-1974

[1]JournaloftheAmericanChemicalSociety,1957,vol.79,p.170,172

[1]Patent:EP1165473,2004,B1.Locationinpatent:Page13

[2]Patent:EP1165473,2004,B1.Locationinpatent:Page13

[1]Patent:EP1165473,2004,B1.Locationinpatent:Page9-10

[1]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[2]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn7

[3]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn4;6-7

[4]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[5]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[6]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn7

Literature

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry 20090501

Title: Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

Journal: Journal of medicinal chemistry 20050602

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry 20050127

Title: Bioconcentration, biotransformation, and elimination of polycyclic aromatic hydrocarbons in sheepshead minnows (Cyprinodon variegatus) exposed to contaminated seawater.

Journal: Environmental toxicology and chemistry 20040601

Quotation Request
Company Name:
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SDS
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Tags:575-41-7 Molecular Formula|575-41-7 MDL|575-41-7 SMILES|575-41-7 1,3-DIMETHYLNAPHTHALENE
Catalog No.: AA003DHO
575-41-7,MFCD00004036
575-41-7 | 1,3-DIMETHYLNAPHTHALENE
Pack Size： 1g
Purity： >95.0%(GC)
in stock
$103.00 $72.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003DHO
Chemical Name: 1,3-DIMETHYLNAPHTHALENE
CAS Number: 575-41-7
Molecular Formula: C12H12
Molecular Weight: 156.2237
MDL Number: MFCD00004036
SMILES: Cc1cc2ccccc2c(c1)C
NSC Number: 66991
Properties
BP: 263.0°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 150  
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: 0  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
Downstream Synthesis Route
186581-53-3    575-41-7    1077-79-8 

[1]JournalofOrganicChemistry,1984,vol.49,p.1969-1974

575-41-7    51671-03-5 

[1]JournaloftheAmericanChemicalSociety,1957,vol.79,p.170,172

573-98-8    569-41-5    91-20-3    581-40-8    582-16-1    1127-76-0    575-43-9    581-42-0    939-27-5    575-37-1    575-41-7    571-58-4    571-61-9    90-12-0    91-57-6 

[1]Patent:EP1165473,2004,B1.Locationinpatent:Page13

[2]Patent:EP1165473,2004,B1.Locationinpatent:Page13

581-40-8    573-98-8    571-58-4    91-20-3    582-16-1    1127-76-0    575-43-9    581-42-0    939-27-5    575-37-1    575-41-7    569-41-5    571-61-9    90-12-0    91-57-6 

[1]Patent:EP1165473,2004,B1.Locationinpatent:Page9-10

571-58-4    575-41-7 

[1]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[2]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn7

[3]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn4;6-7

[4]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[5]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn6-7

[6]CurrentPatentAssignee:MITSUBISHIGASCHEMICALCOMPANYINC-US2005/187403,2005,A1Locationinpatent:Page/Pagecolumn7

Literature fold

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry20090501

Title: Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

Journal: Journal of medicinal chemistry20050602

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry20050127

Title: Bioconcentration, biotransformation, and elimination of polycyclic aromatic hydrocarbons in sheepshead minnows (Cyprinodon variegatus) exposed to contaminated seawater.

Journal: Environmental toxicology and chemistry20040601

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1005095-98-6
1005095-98-6
863000-99-1
863000-99-1
19946-83-9
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