Home Fluorides 433-97-6
433-97-6,MFCD00002476
Catalog No.:AA003NOO

433-97-6 | 2-(Trifluoromethyl)benzoic acid

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Purity
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5g
97%
in stock  
$6.00   $4.00
- +
10g
97%
in stock  
$7.00   $5.00
- +
25g
97%
in stock  
$15.00   $11.00
- +
100g
97%
in stock  
$47.00   $33.00
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500g
97%
in stock  
$116.00   $82.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003NOO
Chemical Name:
2-(Trifluoromethyl)benzoic acid
CAS Number:
433-97-6
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00002476
SMILES:
OC(=O)c1ccccc1C(F)(F)F
NSC Number:
88326
Properties
Properties
 
BP:
243.7°C at 760 mmHg  
Form:
Solid  
MP:
107-110 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
200  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Upstream Synthesis Route

[1]Journalofmedicinalchemistry,1970,vol.13,#5,p.820-826

[1]Patent:US2010/160323,2010,A1,.Locationinpatent:Page/Pagecolumn28

[2]JournaloftheAmericanChemicalSociety,1947,vol.69,p.2352

[3]BulletindelaSocieteChimiquedeFrance,1962,p.587-593

[4]JournalofMedicinalChemistry,1982,vol.25,#2,p.145-152

[5]JournalofMedicinalChemistry,1999,vol.42,#6,p.981-991

[6]PesticideScience,1994,vol.41,#2,p.139-148

[7]JournalofMedicinalChemistry,2003,vol.46,#23,p.4895-4903

[8]JournalofMedicinalChemistry,2007,vol.50,#6,p.1365-1379

[9]JournalofMedicinalChemistry,2001,vol.44,#3,p.362-371

[10]Patent:US2006/14777,2006,A1,.Locationinpatent:Page/Pagecolumn22

[11]Patent:US5536718,1996,A,

[12]Patent:US5753648,1998,A,

[13]Patent:US5700796,1997,A,

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[17]Patent:WO2010/11917,2010,A1,.Locationinpatent:Page/Pagecolumn59

[18]JournalofMedicinalChemistry,2010,vol.53,#21,p.7664-7674

[19]AngewandteChemie-InternationalEdition,2011,vol.50,#39,p.9081-9084

[20]JournalofMedicinalChemistry,2012,vol.55,#7,p.3452-3478

[21]JournalofMedicinalChemistry,2012,vol.55,#9,p.4189-4204

[22]BioorganicandMedicinalChemistry,2012,vol.20,#12,p.3915-3924

[23]BioorganicandMedicinalChemistryLetters,2013,vol.23,#1,p.330-335

[24]ChemMedChem,2013,vol.8,#3,p.442-461

[25]Chemistry-AEuropeanJournal,2014,vol.20,#32,p.9902-9905

[26]JournaloftheAmericanChemicalSociety,2014,vol.136,#33,p.11590-11593

[27]ChemicalCommunications,2015,vol.51,#37,p.7863-7866

[28]JournalofOrganicChemistry,2016,vol.81,#5,p.2166-2173

[29]ChineseChemicalLetters,2016,vol.27,#9,p.1547-1550

[30]Patent:CN105777580,2016,A,.Locationinpatent:Paragraph0070;0071;0074

[31]Tetrahedron,2017,vol.73,#12,p.1576-1582

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[33]Angew.Chem.,2017,vol.129,p.1903-1906,4

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[1]JournalofOrganicChemistry,2001,vol.66,#9,p.3235-3237

[1]SyntheticCommunications,2010,vol.40,#19,p.2897-2907

Downstream Synthesis Route

[1]BulletindesSocietesChimiquesBelges,1930,vol.39,p.298,306,307

[2]ZhurnalObshcheiKhimii,1953,vol.23,p.988,990;engl.Ausg.S.1033

[3]OrganicLetters,2015,vol.17,p.38-41

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[1]CurrentPatentAssignee:ABBVIEINC-US2010/160323,2010,A1Locationinpatent:Page/Pagecolumn28

[2]CurrentPatentAssignee:QINGDAOUNIVERSITYOFSCIENCEANDTECHNOLOGY-CN108947892,2018,ALocationinpatent:Paragraph0025;0032;0033;0034

[3]CurrentPatentAssignee:QINGDAOUNIVERSITYOFSCIENCEANDTECHNOLOGY-CN109232550,2019,ALocationinpatent:Paragraph0022;0026-0028

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Literature

Title: 2-(Trifluoro-meth-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: Structure-activity relationships and the cytotoxic effects of novel diterpenoid alkaloid derivatives against A549 human lung carcinoma cells.

Journal: Journal of natural medicines 20110101

Title: Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors.

Journal: British journal of cancer 20100810

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Tags:433-97-6 Molecular Formula|433-97-6 MDL|433-97-6 SMILES|433-97-6 2-(Trifluoromethyl)benzoic acid |Fluorinated_Building_Blocks