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Home Fluorides 699-90-1
699-90-1,MFCD00075246
Catalog No.:AA003JCH

699-90-1 | 3-Fluoro-2-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$6.00   $4.00
- +
5g
98%
in stock  
$17.00   $12.00
- +
10g
98%
in stock  
$32.00   $22.00
- +
25g
95%
in stock  
$49.00   $35.00
- +
  • 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:
AA003JCH
Chemical Name:
3-Fluoro-2-methylbenzoic acid
CAS Number:
699-90-1
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
MDL Number:
MFCD00075246
SMILES:
OC(=O)c1cccc(c1C)F
NSC Number:
60050
Properties
Properties
 
BP:
261.2°C at 760 mmHg  
Form:
Solid  
MP:
161 - 162 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Upstream Synthesis Route

[1]Patent:EP1044980,2000,A1,

[1]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1995,#10,p.1265-1272

[1]JournalofOrganicChemistry,1961,vol.26,p.3208-3211

[1]JournalofOrganicChemistry,1961,vol.26,p.3208-3211

[1]JournaloftheAmericanChemicalSociety,1966,vol.88,#16,p.3819-3824

Downstream Synthesis Route

[1]JournaloftheChemicalSociety.PerkintransactionsI,1995,p.1265-1272

699-90-1    917-54-4   
1-(3-fluoro-2-methylphenyl)ethan-1-one 

[1]BulletindelaSocieteChimiquedeFrance,1996,vol.133,p.133-141

699-90-1    166383-81-9   
(2S,4S)-4-Chloro-1-(2S,3S)-3-(3-fluoro-2-methyl-benzoylamino)-2-hydroxy-4-phenyl-butyryl-pyrrolidine-2-carboxylicacidtert-butylamide 

[1]BioorganicandMedicinalChemistry,1998,vol.6,p.595-604

[1]BioorganicandMedicinalChemistry,2005,vol.13,p.3057-3068

[2]MedChemComm,2015,vol.6,p.1687-1692

[3]BioorganicandMedicinalChemistry,2015,vol.23,p.5891-5908

[4]OrganicLetters,2017,vol.19,p.2234-2237

[5]Patent:US5516774,1996,A

[6]Patent:US5733905,1998,A

[7]Patent:US5736540,1998,A

[8]Chemistry-AEuropeanJournal,2019,vol.25,p.6915-6919

[1]BioorganicandMedicinalChemistry,2005,vol.13,p.3057-3068

Literature
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SDS
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