4-Hydroxybenzonitril

4-Cyanophenol

HCID 13019CAS 767-00-0
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Grundinformationen

Standard-SMILES
N#Cc1ccc(O)cc1
InChIKey
CVNOWLNNPYYEOH-UHFFFAOYSA-N
Summenformel
C7H5NO
Durchschnittliche Molmasse
119,12 g/mol
Monoisotopische Masse
119,03711378

Namen und Bezeichner

Bevorzugter Name
4-Cyanophenol
IUPAC
4-hydroxybenzonitrile
Lokaler Name
4-Hydroxybenzonitril
Englischer Name
4-Cyanophenol
Summenformel
C7H5NO
Molmasse
119.12

Namen und Synonyme

4-Hydroxybenzonitrile4-Cyanophenol767-00-0p-HydroxybenzonitrileP-CYANOPHENOLBenzonitrile, 4-hydroxy-Benzonitrile, p-hydroxy-DTXSID90525094-hydroxycyanobenzene1S13529YJUNSC-400524DTXCID7031082
Weitere Namen anzeigen
4-HYDROXYBENZOHYDRAZIDEHydroxybenzonitrilePARA-CYANOPHENOLPHBNP-nitrileAKOS 217-25AKOS B004225
CHEBI:38622RefChem:98654212-175-24-CYANO PHENOL4-Hydroxy benzonitrile4-hydroxy-benzonitrile4-Hydroxybenzoic acid nitrileMFCD00002312

Datenbank-Bezeichner

CAS
767-00-0
PubChem CID
13019
DTXSID
DTXSID9052509
ChEMBL
CHEMBL66381
ChEBI
CHEBI:38622
UNII
1S13529YJU
EC Number
212-175-2
Nikkaji
J36.035J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
44 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.00665 [mmHg]
Physical DescriptionMostly soluble in water (8.98 g/L at 25 deg C); [ChemIDplus] White crystalline chips; [MSDSonline]
Collision Cross Section118.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9052509]

Physikochemische Eigenschaften

Schmelzpunkt
110 · 110-113 °C(lit.)
Siedepunkt
146 °C · 146 °C / 2mmHg
Dichte
1.1871 · 1.1871 (rough estimate)
Brechungsindex
1.58 · 1.5800 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
0.1 g/mL, · methanol: 0.1 g/mL, clear

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzonitrile, 4-hydroxy-

Status: Active Update: 24-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18169

4-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (96.8%)；Skin Irrit. 2 (96.8%)；Eye Irrit. 2 (96.8%)；STOT SE 3 (95.2%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzonitrile, 4-hydroxy-

Status: Active Update: 24-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18169

4-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29269095
RTECS-Nr.
DI4375000
risk_code
22-36/37/38
hazard_code
Xn,Xi

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in the production of herbicides; [Ullmann]
General Manufacturing InformationBenzonitrile, 4-hydroxy-: ACTIVE

Anwendungen

Verwenden4-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.

Darstellung · 1 Eintrag

synthetische4-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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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