N-(4-Hydroxyphenyl)-p-benzochinonmonoimin

Phenolindophenol

HCID 10379CAS 500-85-6

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Grundinformationen

Standard-SMILES: O=C1C=CC(=Nc2ccc(O)cc2)C=C1
InChIKey: RSAZYXZUJROYKR-UHFFFAOYSA-N
Summenformel: C12H9NO2
Durchschnittliche Molmasse: 199,2 g/mol
Monoisotopische Masse: 199,06332853

Überblick

Indophenol is a quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline. It has a role as a dye.

Namen und Bezeichner

Bevorzugter Name: Phenolindophenol
IUPAC: 4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
Lokaler Name: N-(4-Hydroxyphenyl)-p-benzochinonmonoimin
Englischer Name: INDOPHENOL
Summenformel: C12H9NO2
Molmasse: 199.21

Namen und Synonyme

INDOPHENOL500-85-6PhenolindophenolBenzenoneindophenol4-[(4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-oneBW444H326BCHEBI:504284-((4-hydroxyphenyl)imino)cyclohexa-2,5-dien-1-oneRefChem:148228207-913-54-((4-Hydroxyphenyl)imino)cyclohexa-2,5-dienone4-(4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one

Weitere Namen anzeigen

NDOPHENOLIndophenol,PhenolindophenolN-(4-Hydroxyphenyl)-1,4-benzoquinone imineN-(P-HYDROXYPHENYL)-P-BENZOQUINONE MONOIMINE4-(4-hydroxyphenylimino)cyclohexa-2,5-dienoneN-(p-Hydroxyphenyl)-p-benzoquinone Monoomine

N-(4-Hydroxyphenyl)-p-benzoquinone monoimine2,5-Cyclohexadien-1-one, 4-((4-hydroxyphenyl)imino)-2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-Sodium BenzenoneindophenolNSC10440EINECS 207-913-5phenol-indophenolMFCD00001621

Datenbank-Bezeichner

CAS: 500-85-6
PubChem CID: 10379
DTXSID: DTXSID2075425
ChEMBL: CHEMBL3306923
ChEBI: CHEBI:50428
UNII: BW444H326B
EC Number: 207-913-5
Nikkaji: J9.397A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 316

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C(lit.)
Siedepunkt: 360 · 360.0±42.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: room temp
Löslichkeit: Solubility Insoluble in water; soluble in ethanol
Aggregatzustand: powder
pka: 8.1 · 8.1, 9.4, 10.6(at 25℃)
Farbe: Reddish-blue
BRN: 2095656 · 2095656
Major Application: Liquid crystal display device, chemical-mechanical polishing, fuel cell, redox materials, hair dyes, lubricants, bacterial vaginosis screening technique, biosensor
InChI: 1S/C12H9NO2/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10/h1-8,14H
InChIKey: RSAZYXZUJROYKR-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1)N=C2C=CC(=O)C=C2
CAS Datenbank: 500 · 500-85-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]- (500-85-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2907199090
RTECS-Nr.: GU5778000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1): INACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

3-acetylamino-2,6-dimethylphenol N-(4-Hydroxy-2-methylphenyl)acetamid 4-[[4-(Dimethylamino)phenyl]imino]cyclohexa-2,5-dien-1-on 4-[(4-Oxocyclohexa-2,5-dien-1-yl)imino]phenylacetat N-Chloro-p-benzoquinoneimine 4,4'-Iminodiphenol N-(m-Hydroxyphenyl)-p-toluolsulfonamid 4-Amino-2,6-dichlorphenolhydrochlorid 4,4'-Methylendiphenol Phenol p-Benzochinon 4-Aminophenol

Nachgelagerte Produkte

DL-Tryptophan C.I. Sulphur Blue 14 (8CI)

Anbieter42 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline.