4'-Hydroxy-4-biphenylcarbonitrile (HCID 140610)

Namen und Bezeichner

Bevorzugter Name: 4'-Hydroxy-4-biphenylcarbonitrile
IUPAC: 4-(4-hydroxyphenyl)benzonitrile
Englischer Name: 4'-Hydroxy-4-biphenylcarbonitrile
Summenformel: C13H9NO
Molmasse: 195.22

Namen und Synonyme

4'-Hydroxy-4-biphenylcarbonitrileRefChem:506141623-191-819812-93-24-Cyano-4'-hydroxybiphenyl4-(4-Hydroxyphenyl)benzonitrile4'-Hydroxy-[1,1'-biphenyl]-4-carbonitrile4-(4-Cyanophenyl)phenol4'-Hydroxybiphenyl-4-carbonitrile[1,1'-Biphenyl]-4-carbonitrile, 4'-hydroxy-MFCD000596254'-Hydroxy-biphenyl-4-carbonitrile

Weitere Namen anzeigen

AKOS BAR-0830cyanophenyl phenolTIMTEC-BB SBB008418CYANOHYDROXYBIPHENYL4'-CYANO-4-BIPHENYLOL4-(4-cyanophenyl)phenyl4-CYAN-4'-HYDROXYBIPHENYL

4'-hydroxy-4-cyanobiphenylCHEMBL1145234'-Hydroxy[1,1'-biphenyl]-4-carbonitrile4/'-Hydroxy-4-biphenylcarbonitrile4-CYANO-4'-HYDROXY-BIPHENYL4'-Cyano-4-hydroxybiphenyl4-(4-hydroxyphenyl)benzenecarbonitrile4'-cyanobiphenyl-4-ol

Datenbank-Bezeichner

CAS: 19812-93-2
PubChem CID: 140610
DTXSID: DTXSID20941643
ChEMBL: CHEMBL114523
UNII: GA4366Z5Q3
EC Number: 427-840-4、623-191-8
Nikkaji: J86.507I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 44 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 239

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 191 · 191-195 °C (lit.)
Siedepunkt: 331.88 °C · 331.88°C (rough estimate)
Dichte: 1.1266 · 1.1266 (rough estimate)
Dampfdruck: 0.022 hPa · 0.022 hPa (20 °C)
Brechungsindex: 1.606 · 1.6060 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 12.7 g/l · 12.7g/l no data available
Aggregatzustand: Crystalline Powder
pka: 9.43 · 9.43±0.26(Predicted)
Farbe: Light yellow to beige
Wasserlöslichkeit: 12.7 g/L · 12.7g/L
InChI: InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H
InChIKey: MDKUGDVEJBGKLD-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C=C2)=CC=C(C#N)C=C1
CAS Datenbank: 19812 · 19812-93-2(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Cyano-4'-hydroxybiphenyl(19812-93-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9821

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (100%)

Acute Tox. 4 (95.7%)

Sicherheitsdaten

wgk: 3
ridadr: 3439
hs_code: 2926 90 70
risk_code: 36/37/38-20/21/22
Toxizität: LD50 orally in Rabbit: > 5000 mg/kg
hazard_code: Xn
safety_code: 36/37/39-26-22-36/37-9-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Chronic 2Skin Sens. 1

Chemie und Industrie

Anwendungen

VerwendenIntermediates of Liquid Crystals

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Kupfercyanid Biphenyl-4,4'-diol 4'-Cyano[1,1'-biphenyl]-4-yl acetate 4’-hydroxybiphenyl-4-carboxamide 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-carbonitrile 4'-Methoxy[1,1'-biphenyl]-4-carbonitril 4-Bromo-4'-hydroxybiphenyl 4-Cyanophenylboronic acid 4-Hydroxyphenylboronic acid 4-Bromphenol 4-Iodphenol

Nachgelagerte Produkte

[1,1'-Biphenyl]-4,4'-dicarbonitril 4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitril 4'-Propoxy[1,1'-biphenyl]-4-carbonitril

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]

Zugehörige Reaktionen

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Reaktionsaufzeichnung erstellen

HRID 105327als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109445als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124248als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147938als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 149644als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150042als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 159544als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175126als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

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