53645-98-0,MFCD04972766
Catalog No.:AA00DCWF

53645-98-0 | 2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$60.00   $42.00
- +
1g
98%(HPLC)
in stock  
$64.00   $45.00
- +
5g
98%(HPLC)
in stock  
$239.00   $167.00
- +
25g
98%(HPLC)
in stock  
$953.00   $667.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DCWF
Chemical Name:
2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole
CAS Number:
53645-98-0
Molecular Formula:
C3ClF3N2S
Molecular Weight:
188.5587
MDL Number:
MFCD04972766
SMILES:
FC(c1nnc(s1)Cl)(F)F
Properties
Properties
 
BP:
154°C at 760 mmHg  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Upstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1974,vol.11,#3,p.343-345

[2]J.Pharm.Sci.,1975,vol.64,p.1250-1252

[3]C.A.,1972,vol.77,p.140109

[4]Chem.Abstr.,vol.77,#140109,

[5],GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61,

[6],GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61,

[7]J.Heterocycl.Chem.,1974,vol.11,p.343-345

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1974,vol.11,p.343-345

[2]JournalofPharmaceuticalSciences,1975,vol.64,p.1250-1252

[3]Patent:DE2162575,1971,    Chem.Abstr.,vol.77

[4]GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61

[5]JournalofHeterocyclicChemistry,1974,vol.11,p.343-345

628331-31-7    53645-98-0   
ethyl3-{3-(1-methylethyl)-1-5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl-1H-pyrazol-4-yl}propanoate 

[1]Patent:WO2003/99793,2003,A1.Locationinpatent:Page250

lithiumhydroxidemonohydrate 
 
hydroxyaceticacid2-methyl-piperidide 
  53645-98-0   
(5-trifluoromethyl-1,3,4-thiadiazol-2-yl-oxy)-aceticacid2-methylpiperidide 

[1]Patent:US4528379,1985,A

lithiumhydroxidemonohydrate 
 
hydroxyaceticacid2-ethyl-piperidide 
  53645-98-0   
(5-trifluoromethyl-1,3,4-thiadiazol-2-yl-oxy)-aceticacid2-ethylpiperidide 

[1]Patent:US4528379,1985,A

Literature
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Additional Info:
SDS
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Tags:53645-98-0 Molecular Formula|53645-98-0 MDL|53645-98-0 SMILES|53645-98-0 2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole
Catalog No.: AA00DCWF
53645-98-0,MFCD04972766
53645-98-0 | 2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole
Pack Size: 250mg
Purity: 95%
in stock
$60.00 $42.00
Pack Size: 1g
Purity: 98%(HPLC)
in stock
$64.00 $45.00
Pack Size: 5g
Purity: 98%(HPLC)
in stock
$239.00 $167.00
Pack Size: 25g
Purity: 98%(HPLC)
in stock
$953.00 $667.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DCWF
Chemical Name: 2-Chloro-5-trifluoromethyl-[1,3,4]-thiadiazole
CAS Number: 53645-98-0
Molecular Formula: C3ClF3N2S
Molecular Weight: 188.5587
MDL Number: MFCD04972766
SMILES: FC(c1nnc(s1)Cl)(F)F
Properties
BP: 154°C at 760 mmHg  
Storage: Inert atmosphere;2-8℃;  
Complexity: 129  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Upstream Synthesis Route
10444-89-0    53645-98-0 

[1]JournalofHeterocyclicChemistry,1974,vol.11,#3,p.343-345

[2]J.Pharm.Sci.,1975,vol.64,p.1250-1252

[3]C.A.,1972,vol.77,p.140109

[4]Chem.Abstr.,vol.77,#140109,

[5],GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61,

[6],GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61,

[7]J.Heterocycl.Chem.,1974,vol.11,p.343-345

Downstream Synthesis Route
10444-89-0    53645-98-0 

[1]JournalofHeterocyclicChemistry,1974,vol.11,p.343-345

[2]JournalofPharmaceuticalSciences,1975,vol.64,p.1250-1252

[3]Patent:DE2162575,1971,    Chem.Abstr.,vol.77

[4]GmelinHandbuchderAnorganischenChemie,GmelinHandbook:F:PerFHalOrg.SVol.2,6.2.1.5.2,page41-61

[5]JournalofHeterocyclicChemistry,1974,vol.11,p.343-345

628331-31-7    53645-98-0   
ethyl3-{3-(1-methylethyl)-1-5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl-1H-pyrazol-4-yl}propanoate 

[1]Patent:WO2003/99793,2003,A1.Locationinpatent:Page250

lithiumhydroxidemonohydrate 
 
hydroxyaceticacid2-methyl-piperidide 
  53645-98-0   
(5-trifluoromethyl-1,3,4-thiadiazol-2-yl-oxy)-aceticacid2-methylpiperidide 

[1]Patent:US4528379,1985,A

lithiumhydroxidemonohydrate 
 
hydroxyaceticacid2-ethyl-piperidide 
  53645-98-0   
(5-trifluoromethyl-1,3,4-thiadiazol-2-yl-oxy)-aceticacid2-ethylpiperidide 

[1]Patent:US4528379,1985,A

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