Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 286148Erstellt: 26. Oktober 2026

2-Hydroxy-4-nitrobenzonitrile

NSC 143981 · 2-Cyano-5-nitrophenol · 2-HYDROXY-4-NITROBENZONITRILE · Benzonitrile, 2-hydroxy-4-nitro- · 2-HYDROXY-4-NITROBENZONITRILE 98% · JRH-04201, 2-Hydroxy-4-nitrobenzonitrile, 97%

https://huagongshe.com/de/chemical/286148

Molekülstruktur von 2-Hydroxy-4-nitrobenzonitrile

Identifikatoren & physikalische Daten

CAS No.39835-14-8
SummenformelC7H4N2O3
Durchschnittliche Molmasse164,12 g/mol
Monoisotopische Masse164,02219199 g/mol
SMILESN#Cc1ccc([N+](=O)[O-])cc1O
InChIKeyDZNPHVPBCNZVGW-UHFFFAOYSA-N
PubChem CID286148
EC No.672-564-1
DTXSIDDTXSID70960400

Chemische & physikalische Eigenschaften

XLogP2,3
Polarare Oberfläche (TPSA)89,8
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome12
Formalladung0
Komplexität227
Schmelzpunkt160-161°C
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandsolid
InChI1S/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
InChIKeyDZNPHVPBCNZVGW-UHFFFAOYSA-N
SMILESOC1=C(C#N)C=CC([N+]([O-])=O)=C1
CAS Datenbank39835-14-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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.
Hazard Classes and CategoriesAcute Tox. 4 (50%)Skin Irrit. 2 (50%)Eye Irrit. 2 (100%)STOT SE 3 (50%)
Wassergefährdungsklasse (WGK)WGK 3
R-Sätze (R)36
GefahrensymboleXi
Sicherheitshinweise (S)26
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2