2,3,4,5,6-Pentafluorobenzoic acid

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Names

[ CAS No. ]:
602-94-8

[ Name ]:
2,3,4,5,6-Pentafluorobenzoic acid

[Synonym ]:
Benzoic acid, pentafluoro-
2,3,4,5,6-Pentafluorobenzoic acid
Perfluorobenzoic acid
Pentafluorobenzoic acid
MFCD00002406
Benzoic acid, 2,3,4,5,6-pentafluoro-
QVR BF CF DF EF FF
EINECS 210-026-6

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
220.0±35.0 °C at 760 mmHg

[ Melting Point ]:
100-102 °C(lit.)

[ Molecular Formula ]:
C₇HF₅O₂

[ Molecular Weight ]:
212.074

[ Flash Point ]:
86.9±25.9 °C

[ Exact Mass ]:
211.989670

[ PSA ]:
37.30000

[ LogP ]:
2.45

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.451

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH6195000

CHEMICAL NAME :: Benzoic acid, pentafluoro-

CAS REGISTRY NUMBER :: 602-94-8

BEILSTEIN REFERENCE NO. :: 2054395

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H-F5-O2

MOLECULAR WEIGHT :: 212.08

WISWESSER LINE NOTATION :: QVR BF CF DF EF FF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 178 mg/kg

TOXIC EFFECTS :: Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319-H335

[ Precautionary Statements ]:
P261-P301 + P310-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25;R36/37/38

[ Safety Phrases ]:
S26-S45-S36/37/39-S24/25

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DH6195000

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(Pentafluorophenyl)methanol
perfluorobenzonitrile
1-Chloro-2,3,4,5,6-pentafluorobenzene
Carbon dioxide
tris(2,3,4,5,6-pentafluorophenyl)silicon
METHYLLITHIUM
N,1-bis(2,3,4,5,6-pentafluorophenyl)methanimine
Perfluorotoluene
3-indole acetamide

DownStream

3-Fluorobenzoic acid
2,3,5,6-Tetrafluorobenzoic acid
3,5-Difluorobenzoic acid
benzoic acid
1,2,3-Trifluorobenzene
1,2,4,5-Tetrafluorobenzene
tetrafluorobenzene
Pentafluorobenzene
2,3,5,6-tetrafluorobenyl alcohol
Ethyl 3-oxo-3-(pentafluorophenyl)propanoate

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

Sensitive and selective method for the determination of bisphenol-A and triclosan in serum and urine as pentafluorobenzoate-derivatives using GC-ECNI/MS.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 877(31) , 4042-6, (2009)

The development and validation of an analytical method is presented for the determination of bisphenol-A (BPA) and triclosan (TCS), two ubiquitous contaminants, in serum and urine. The glucuronidated ...

Photovalorisation of pentafluorobenzoic acid with platinum doped TiO2.

J. Hazard. Mater. 167(1-3) , 763-9, (2009)

Pt-doped TiO(2) has been prepared and characterized by various surface analytical methods such as BET surface area, scanning electron micrographs (SEM), X-ray diffraction (XRD), energy dispersive X-ra...

Dual-domain solute transfer and transport processes: evaluation in batch and transport experiments.

J. Contam. Hydrol. 75(3-4) , 257-80, (2004)

Soil macropore networks establish a dual-domain transport scenario in which water and solutes are preferentially channeled through soil macropores while slowly diffusing into and out of the bulk soil ...