2-Amino-5-brombenzoesure

Bezeichnung:2-Amino-5-brombenzoesure

CAS-Nr5794-88-7

Englisch Name:2-Amino-5-bromobenzoic acid

CBNumberCB7154465

SummenformelC7H6BrNO2

Molgewicht216.03

MOL-Datei5794-88-7.mol

Synonyma

2-Amino-5-brombenzoesure

2-Amino-5-brombenzoesure physikalisch-chemischer Eigenschaften

Schmelzpunkt	213-215 °C (lit.)
Siedepunkt	265.51°C (rough estimate)
Dichte	1.6841 (rough estimate)
Brechungsindex	1.6120 (estimate)
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Soluble in methanol and dimethyl sulfoxide.
pka	4.55±0.10(Predicted)
Aggregatzustand	Powder
Farbe	Beige
Sensitive	Light Sensitive
Merck	14,1405
BRN	639028
InChI	InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey	CUKXRHLWPSBCTI-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC(Br)=CC=C1N
CAS Datenbank	5794-88-7(CAS DataBase Reference)
NIST chemische Informationen	2-Amino-5-bromobenzoic acid(5794-88-7)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22-36/37
S-Sätze:	26-38-36/37
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS-Nr.	CB2557670
Hazard Note	Harmful
PackingGroup	6.1/PG 3
HS Code	29224999

Gefahreninformationscode (GHS)

2-Amino-5-bromobenzoic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
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.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
slight yellow to white powder
Physikalische Eigenschaften
2-Amino-5-bromobenzoic acid has 17 atoms, meaning 45 vibrational modes in three main parts: Carboxyl group, amine group, and benzene. The molecule's most mechanically active parts are the carboxyl and amine groups. They exhibit rocking, swinging, and every kind of mechanical motion beside H immigrations between each other. For this reason, the molecule is not a simple carboxylic acid nor a primary amine[1].
Verwenden
2-Amino-5-bromobenzoic acid is a brominated derivative of Antharilinic Acid (A679222). 2-Amino-5-bromobenzoic acid displays plant growth-regulator activity. 2-Amino-5-bromobenzoic acid is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors.
Verwenden
It is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. Also used in the determination of cobalt, copper, nickel, and zinc.
synthetische
2-Amino-5-bromobenzoic acid is synthesized from o-aminobenzoic acid by bromination.
Synthesis of 2-amino-5-bromobenzoic acid (4c, CAS: 5794-88-7) and 2-amino3,5-dibromobenzoic acid (4d, CAS: 609-85-8): A solution of bromine (7.2 g, 2 mL, 40 mmol) in 47 mL glacial acetic acid was added dropwise to sodium 2-aminobenzoate (6.4 g, 40 mmol) in 32 mL of glacial acetic acid at 15 °С and the mixture was stirred for 1 h at the same temperature. The product was filtered off, washed with benzene and dried in the dark. The bromobenzoic acids containing mixture (0.5 g) was added to 10 mL of boiling water followed by the addition of 1.3 mL of concentrated hydrochloric acid and hot filtration under vacuum. The insoluble material contained 2-amino-3,5-dibromobenzoic acid, whereas 2- amino-5-bromobenzoic acid precipitated upon cooling of the filtrate.
2-Amino-5-bromobenzoic acid (4c) IR (suspension in nujol, cm?1 ): 3497, 3383, 1675, 1616, 1587, 1548, 1423, 1377, 1316, 1292, 1239, 1160, 1127, 812, 748, 691.
Einzelnachweise
[1] Kunduracioglu, Ahmet . "Tautomeric Forms of 2–Amino–5–Bromobenzoic Acid: A DFT Study for Structural and Molecular Orbital Analysis." (2021).

2-Amino-5-bromobenzoic acid Upstream-Materialien And Downstream Produkte

2-Amino-5-brombenzoesure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

5794-88-7, 2-Amino-5-bromobenzoic acid Verwandte Suche:

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