3-Chlorbenzoesure

Bezeichnung:3-Chlorbenzoesure

CAS-Nr535-80-8

Englisch Name:3-Chlorobenzoic acid

CBNumberCB7203275

SummenformelC7H5ClO2

Molgewicht156.57

MOL-Datei535-80-8.mol

Synonyma

3-Chlorbenzoesure

3-Chlorbenzoesure physikalisch-chemischer Eigenschaften

Schmelzpunkt	153-157 °C (lit.)
Siedepunkt	274-276°C
Dichte	1.496
Brechungsindex	1.5812 (estimate)
Flammpunkt	150 °C
storage temp.	Store below +30°C.
Löslichkeit	0.45g/l
pka	3.82(at 25℃)
Aggregatzustand	Crystalline Powder
Farbe	White to beige
Wasserlöslichkeit	<0.1 g/100 mL at 19.5 ºC
Merck	14,2123
BRN	907218
Stabilität	Skin, eye and respiratory irritant.
CAS Datenbank	535-80-8(CAS DataBase Reference)
NIST chemische Informationen	Benzoic acid, 3-chloro-(535-80-8)
EPA chemische Informationen	m-Chlorobenzoic acid (535-80-8)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37/39
WGK Germany	3
RTECS-Nr.	DG4975990
Selbstentzündungstemperatur	>500 °C
TSCA	Yes
HS Code	29163900
Giftige Stoffe Daten	535-80-8(Hazardous Substances Data)

Gefahreninformationscode (GHS)

3-Chlorobenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
A Pseudomonas species which utilized 3-chlorobenzoic acid as a carbon source converted this compound to 3-hydroxybenzoic and 2, 5-dihydroxybenzoic acids. A methanogenic consortium able to use 3-chlorobenzoic acid as its sole energy and carbon source was enriched from anaerobic sewage sludge. A Pseudomonas putida strain 87 capable of assimilating 3-chlorobenzoic acid as a sole source of carbon and energy (3Cba+) was isolated. coupling of 3-chlorobenzoic acid with phenylboronic acid proceeds at room temperature using 0.5 % Pd and at 100°C using 0.1 % Pd to provide the coupled product in 97 % yeild.
Verwenden
3-Chlorobenzoic acid is a fundamental chemical building block commonly used in organic synthesis of more complex structures. A benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioassays.
Definition
ChEBI: 3-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 3. It has a role as a drug metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-chlorobenzoate.
Synthesis Reference(s)
Journal of the American Chemical Society, 76, p. 5755, 1954 DOI: 10.1021/ja01651a039
Tetrahedron Letters, 25, p. 783, 1984
Allgemeine Beschreibung
Crystals or fluffy white powder.
Air & Water Reaktionen
Insoluble in water.
Reaktivität anzeigen
3-Chlorobenzoic acid is incompatible with strong oxidizing agents. The reactivity of the chlorine atom of 3- chlorobenzoic acid is sluggish compared with the other isomers. Decarboxylation at higher temperatures is insignificant, and it resists oxidation. 3-Chlorobenzoic acid is made by the oxidation of 3-chlorotoluene or by the hydrolysis of 3-chlorobenzoyl chloride, which is derived from benzoyl chloride. 3-Chlorobenzoic acid is used for making diphenyl ether type herbicides.
Brandgefahr
Flash point data for 3-Chlorobenzoic acid are not available; however, 3-Chlorobenzoic acid is probably combustible.
läuterung methode
Crystallise the acid successively from glacial acetic acid, aqueous EtOH and pet ether (b 60-80o). It also recrystallises from *C6H6 or Et2O/hexane, and sublimes at 55o in a vacuum. [Anal Chem 26 726 1954] The methyl ester has m 21o, b 231o/760mm. The S-benzylisothiouronium salt has m 164-165o (from EtOH) [Friediger & Pedersen Acta Chem Scand 9 1425 1955, Samuel J Chem Soc 1318 1960]. [Beilstein 9 IV 969.]

3-Chlorobenzoic acid Upstream-Materialien And Downstream Produkte

3-Chlorbenzoesure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

535-80-8, 3-Chlorobenzoic acid Verwandte Suche:

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