| Identification | More | [Name]
Pentafluorobenzoic acid | [CAS]
602-94-8 | [Synonyms]
2,3,4,5,6-PENTAFLUOROBENZOIC ACID
PENTAFLUOROBENZOIC ACID
PERFLUOROBENZOIC ACID
RARECHEM AL BO 0017
pentafluoro-benzoicaci
1-PHENYLSULPHONYL-6-BROMOINDOLE
1-PHENYLSULPHONYLINDOLE-5-CARBOXYLIC ACID
2,3,4,5,6-PENTAFLUORO BENZOIC ACID 99+%
PentafluorobenzoicAcid/2,3,4,5,6-PentafluorobenzoicAcid
Pentafluorobenzoicacid,99%
pentaflurobenzoyl chloride
2,3,4,5,6-Pentafluorobenzoic
PPENTAFLUOROBENZOIC ACID
2,3,4,5,6-PENTAFLUOROBENZOIC ACID pure | [EINECS(EC#)]
210-026-6 | [Molecular Formula]
C7HF5O2 | [MDL Number]
MFCD00002406 | [Molecular Weight]
212.07 | [MOL File]
602-94-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
100-102 °C (lit.) | [Boiling point ]
220 °C (lit.) | [density ]
1,944 g/cm3 | [Fp ]
219-221°C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Soluble), Methanol (Slightly) | [form ]
crystal | [pka]
1.75(at 25℃) | [color ]
white | [BRN ]
2054395 | [InChI]
InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) | [InChIKey]
YZERDTREOUSUHF-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F | [CAS DataBase Reference]
602-94-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, pentafluoro-(602-94-8) | [EPA Substance Registry System]
602-94-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
DH6195000
| [Hazard Note ]
Irritant | [TSCA ]
T | [HazardClass ]
IRRITANT | [HS Code ]
29163900 | [Toxicity]
LD50 ipr-mus: 178 mg/kg JMCMAR 11,1020,68 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
2,3,5,6-TETRAFLUORO-4-AMINOBENZOTRIFLUORIDE | [Preparation Products]
2,3,4,5,6-Pentafluorobenzyl alcohol-->2,2',5,5'-TETRAMETHYLBIPHENYL-->2,3,5,6-Tetrafluorophenol-->2,3,5,6-tetrafluoro-4-mercapto-Benzoic acid-->Methyl 2,3,5-trifluorobenzoate |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Definition]
ChEBI: Pentafluorobenzoic acid is a perfluorinated compound. It is functionally related to a benzoic acid. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 35, p. 930, 1970 DOI: 10.1021/jo00829a013 | [Safety Profile]
Poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of Fí. | [Purification Methods]
Dissolve the acid in Et2O, treat it with charcoal, filter, dry (CaSO4), filter again, evaporate and recrystallise the residue from pet ether (b 90-100o) after adding a little toluene, to give large colourless plates. UV (H2O) has max at 265nm ( 761) (H2O). The S-benzylisothiuronium salt has m 187o (from H2O). [McBee & Rapkin J Am Chem Soc 73 1366 1951, Nield et al. J Chem Soc 166 1959, Beilstein 9 IV 956.] |
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