(2,6-Difluorophenyl)acetic acid

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Names

[ CAS No. ]:
85068-28-6

[ Name ]:
(2,6-Difluorophenyl)acetic acid

[Synonym ]:
2,6-Difluorobenzeneacetic acid
EINECS 285-289-3
QV1R BF FF
2-(2,6-difluorophenyl)acetic acid
(2,6-Difluorophenyl)acetic acid
Benzeneacetic acid, 2,6-difluoro-
MFCD00010001

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
251.6±25.0 °C at 760 mmHg

[ Melting Point ]:
100-102 °C(lit.)

[ Molecular Formula ]:
C8H6F2O2

[ Molecular Weight ]:
172.129

[ Flash Point ]:
106.0±23.2 °C

[ Exact Mass ]:
172.033585

[ PSA ]:
37.30000

[ LogP ]:
1.65

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.508

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
29163900

Synthetic Route

Precursor & DownStream

Precursor

  • 1,2,3-Trifluorobenzene
  • Ethyl cyanoacetate

DownStream

  • Methyl 2-(3-Amino-2,6-Difluorophenyl)Acetate
  • 2,6-Difluorobenzaldehyde
  • 2-(2,6-difluoro-3-nitrophenyl)acetic acid
  • methyl 2-(2,6-difluoro-3-nitrophenyl)acetate
  • 2-(2,6-Difluorophenyl)propanoic acid

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

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Bioorg. Med. Chem. 15 , 350-364, (2007)

In a previous study, we identified several structurally unrelated scaffolds of the Rho kinase inhibitor using pharmacophore information obtained from the results of a high-throughput screening and str...

Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency.

Bioorg. Med. Chem. Lett. 23(4) , 1110-3, (2013)

Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved activity towards Tyr181Cys containing variants was pursued with the assistance of free energy perturbation (FEP) calcul...


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Related Compounds

  • 2-amino-2-(2,6-difluorophenyl)acetic acid
  • (2,6-difluorophenyl)acetic acid ethyl ester
  • (2,6-difluorophenyl)acetic acid methyl ester
  • 2-Amino-2-(2,6-difluorophenyl)acetic acid hydrochloride
  • (4-Bromo-2,6-difluorophenyl)acetic acid
  • 2-(4-amino-2,6-difluorophenyl)acetic acid