4-Amino-3-hydroxybenzonitrile

HCID 10197719

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Grundinformationen

CAS: 55586-26-0
Standard-SMILES: N#Cc1ccc(N)c(O)c1
InChIKey: HKZPOGZBKIWMPO-UHFFFAOYSA-N
Summenformel: C7H6N2O
Durchschnittliche Molmasse: 134,14 g/mol
Monoisotopische Masse: 134,04801282

Namen und Bezeichner

Bevorzugter Name: 4-Amino-3-hydroxybenzonitrile
IUPAC: 4-amino-3-hydroxybenzonitrile
Englischer Name: 4-AMINO-3-HYDROXY-BENZONITRILE
Summenformel: C7H6N2O
Molmasse: 134.14

Namen und Synonyme

4-Amino-3-hydroxybenzonitrileRefChem:517821812-842-355586-26-04-amino-3-hydroxy-benzonitrileMFCD06657033Benzonitrile, 4-amino-3-hydroxy-2-amino-5-cyanophenol3-hydroxy-4-aminobenzonitrileo-hydroxy-p-cyanoaniline2-hydroxy-4-cyanoaniline4-cyano-2-hydroxyl aniline

Weitere Namen anzeigen

SCHEMBL5596077DTXSID50436597HKZPOGZBKIWMPO-UHFFFAOYSA-NMSK165102AKOS006294597GS-6028MB03898DA-21406

Datenbank-Bezeichner

CAS: 55586-26-0
PubChem CID: 10197719
DTXSID: DTXSID50436597
EC Number: 812-842-3
Nikkaji: J1.497.142D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 70 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 149 · 149-150 °C
Siedepunkt: 314.1 · 314.1±37.0 °C(Predicted)
Dichte: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: powder
pka: 8.37 · 8.37±0.10(Predicted)
Farbe: Brown

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, 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 2 reports by companies from 2 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.