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Pentafluorobenzoic acid

Product Name
Pentafluorobenzoic acid
CAS No.
602-94-8
Chemical Name
Pentafluorobenzoic acid
Synonyms
2,3,4,5,6-PENTAFLUOROBENZOIC ACID;2,3,4,5,6-pentafluoropropane acid;PENTAFL;RARECHEM AL BO 0017;Pentafluorobenzoic a;PERFLUOROBENZOIC ACID;entafluorobenzoic acid;pentafluoro-benzoicaci;PENTAFLUOROBENZOIC ACID;PPENTAFLUOROBENZOIC ACID
CBNumber
CB9266788
Molecular Formula
C7HF5O2
Formula Weight
212.07
MOL File
602-94-8.mol
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Pentafluorobenzoic acid Property

Melting point:
100-102 °C (lit.)
Boiling point:
220 °C (lit.)
Density 
1,944 g/cm3
Flash point:
219-221°C
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Soluble), Methanol (Slightly)
pka
1.75(at 25℃)
form 
crystal
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
Benzoic acid, pentafluoro- (602-94-8)
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Safety

Hazard Codes 
T,Xi
Risk Statements 
25-36/37/38
Safety Statements 
26-45-36/37/39-24/25
RIDADR 
UN 2811 6.1/PG 3
WGK Germany 
3
RTECS 
DH6195000
TSCA 
T
HazardClass 
IRRITANT
HS Code 
29163900
Toxicity
LD50 ipr-mus: 178 mg/kg JMCMAR 11,1020,68
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
P5360
Product name
2,3,4,5,6-Pentafluorobenzoic acid
Purity
99%
Packaging
10g
Price
$82.2
Updated
2024/03/01
TCI Chemical
Product number
P0806
Product name
Pentafluorobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$22
Updated
2024/03/01
TCI Chemical
Product number
P0806
Product name
Pentafluorobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$67
Updated
2024/03/01
Alfa Aesar
Product number
A12396
Product name
Pentafluorobenzoic acid, 99%
Packaging
5g
Price
$35.65
Updated
2024/03/01
Alfa Aesar
Product number
A12396
Product name
Pentafluorobenzoic acid, 99%
Packaging
25g
Price
$121.65
Updated
2024/03/01
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Pentafluorobenzoic acid Chemical Properties,Usage,Production

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.]

Pentafluorobenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

2,3,4,5,6-Pentafluorobenzyl alcohol
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Pentafluorobenzoic acid Suppliers

Americas 1 Belgium 2 Canada 2 China 279 Europe 4 France 3 Germany 8 India 15 Ireland 1 Italy 1 Japan 6 Jordan 1 Russia 1 Slovakia 1 South Korea 1 Switzerland 2 The Netherlands 1 Ukraine 2 United Kingdom 16 United States 39 Global 386
Melrob Ltd (part of Nordmann)
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Apollo Scientific Ltd
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United Kingdom
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Fisher Scientific Uk Ltd.
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.international@thermofisher.com
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Manchester Organics
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Apollo Scientific Ltd.
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Leancare Ltd.
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MOLEKULA Ltd.
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kevinbanks@molekula.com
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CARBONE SCIENTIFIC CO.,LTD
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Eurolabs Limited
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ETA SCIENTIFIC Co.,Ltd
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UK GREEN SCIENTIFIC CO.,LIMITED
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Fluorochem Ltd
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Lansdowne Chemicals Plc
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Fluorochem Ltd.
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VWR International
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MDA Chemicals Ltd.
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View Lastest Price from Pentafluorobenzoic acid manufacturers

Hebei Zhuanglai Chemical Trading Co Ltd
Product
Pentafluorobenzoic acid 602-94-8
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20 ton
Release date
2024-12-04
Henan Fengda Chemical Co., Ltd
Product
Pentafluorobenzoic acid 602-94-8
Price
US $35.00-1.10/kg
Min. Order
1kg
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2024-04-19
Henan Aochuang Chemical Co.,Ltd.
Product
Pentafluorobenzoic acid 602-94-8
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1Ton
Release date
2022-10-08

602-94-8, Pentafluorobenzoic acidRelated Search:

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  • 602-94-8
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  • C6F5COOH
  • C6F5CO2H
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