4-Hydroxybenzonitril

Bezeichnung:4-Hydroxybenzonitril

CAS-Nr767-00-0

Englisch Name:4-Cyanophenol

CBNumberCB6681698

SummenformelC7H5NO

Molgewicht119.12

MOL-Datei767-00-0.mol

Synonyma

4-Hydroxybenzonitril

4-Hydroxybenzonitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	110-113 °C(lit.)
Siedepunkt	146 °C / 2mmHg
Dichte	1.1871 (rough estimate)
Brechungsindex	1.5800 (estimate)
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	methanol: 0.1 g/mL, clear
pka	7.97(at 25℃)
Aggregatzustand	Crystalline Powder
Farbe	Off-white to beige-gray
Wasserlöslichkeit	slightly soluble
BRN	386130
Henry's Law Constant	1.4×10⁴ mol/(m³Pa) at 25℃, Hilal et al. (2008)
Stabilität	Stable. Incompatible with strong oxidizing agents.
InChI	1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
InChIKey	CVNOWLNNPYYEOH-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)C#N
CAS Datenbank	767-00-0(CAS DataBase Reference)
NIST chemische Informationen	4-Hydroxybenzoic acid nitrile(767-00-0)
EPA chemische Informationen	Benzonitrile, 4-hydroxy- (767-00-0)

Sicherheit

Kennzeichnung gefährlicher	Xn,Xi
R-Sätze:	22-36/37/38
S-Sätze:	26-36-45-24/25
WGK Germany	3
RTECS-Nr.	DI4375000
Hazard Note	Irritant
TSCA	TSCA listed
HS Code	29269095
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

4-Cyanophenol 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:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S24/25:Berührung mit den Augen und der Haut vermeiden.
Chemische Eigenschaften
white crystalline powder or chips. 4-Hydroxybenzonitrile [767-00-0], 4-cyanophenol, 1-cyano-4-hydroxybenzene, Mr 119.2, forms colorless crystals of mp 113℃. 4-Hydroxybenzonitrile is produced by reaction of 4-bromophenol with copper (I) cyanide, by ammoxidation of p-cresol, by reaction of 4-chlorobenzonitrile with sodium methoxide, or by the catalyzed gas phase reaction of ethyl 4-hydroxybenzoate with ammonia. The nitrile is used for the production of the herbicides 3,5-dibromo- and 3,5-diiodo-4- hydroxybenzonitrile (Bromoxynil, Ioxynil, May & Baker).
Verwenden
Intermediates of Liquid Crystals
Verwenden
4-Cyanophenol is a precursor for the synthesis of a vasodilator, Levcromakalim. Bromination of 4-cyanophenol results in bromoxynil, a commercial herbicide. It can also be used as a component of deep eutectic solvent (DES) mixture.
synthetische
4-Cyanophenol is produced by reaction of 4-bromophenol with copper (I) cyanide, by ammoxidation of p-cresol, by reaction of 4-chlorobenzonitrile with sodium methoxide, or by the catalyzed gas phase reaction of ethyl 4-hydroxybenzoate with ammonia.
Definition
ChEBI: 4-cyanophenol is a member of phenols. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is functionally related to a benzonitrile.
Synthesis Reference(s)
The Journal of Organic Chemistry, 39, p. 3343, 1974 DOI: 10.1021/jo00937a007
läuterung methode
Crystallise the phenol from pet ether, *benzene or water and keep it under vacuum over P2O5. [Bernasconi & Paschelis J Am Chem Soc 108 2969 1986.] [Beilstein 10 H 167, 10 IV 441.]

4-Cyanophenol Upstream-Materialien And Downstream Produkte

4-Hydroxybenzonitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

767-00-0, 4-Cyanophenol Verwandte Suche:

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