(2,6-Difluorophenyl)acetic acid
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
DownStream
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
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...