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102582-93-4,MFCD00236351
Catalog No.:AA0007R3

102582-93-4 | 2-(4-(Trifluoromethyl)phenylthio)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%+;RG
2 weeks  
$144.00   $101.00
- +
5g
98%+;RG
2 weeks  
$497.00   $348.00
- +
10g
98%
2 weeks  
$624.00   $437.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0007R3
Chemical Name:
2-(4-(Trifluoromethyl)phenylthio)acetic acid
CAS Number:
102582-93-4
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00236351
SMILES:
OC(=O)CSc1ccc(cc1)C(F)(F)F
Properties
Properties
 
BP:
252.2°C at 760 mmHg  
Form:
Solid  
MP:
114-118 °C(lit.);  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Nefedova,T.V.;Kazimirovskaya,V.B.;Levkovskaya,G.G.;Bryuzgin,A.A.;Guseva,S.A.;etal.[PharmaceuticalChemistryJournal,1986,vol.20,#3,p.176-179][Khimiko-FarmatsevticheskiiZhurnal,1986,vol.20,#3,p.291-295]

[1]Cabiddu;Cabiddu;Cadoni;Corrias;Fattuoni;Floris;Melis[JournalofOrganometallicChemistry,1997,vol.531,#1-2,p.125-140]

[1]Cabiddu;Cabiddu;Cadoni;Corrias;Fattuoni;Floris;Melis[JournalofOrganometallicChemistry,1997,vol.531,#1-2,p.125-140]

102582-93-4   
α-(4-trifluoromethylphenylthio)acetylchloride 

[1]CurrentPatentAssignee:RICOHCOLTD;ELILILLY&CO-US6369049,2002,B1Locationinpatent:Example2

[2]Jung,HuiJin;Nam,EunHye;Park,JinYoung;Ghosh,Prithwish;Kim,InSu[BioorganicandMedicinalChemistryLetters,2021,vol.37]

Literature
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SDS
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