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HCID 28532Erstellt: 26. Oktober 2026

2-Amino-5-nitrobenzonitril

2-AMINO-5-NITROBENZONITRILE · 2-CYANO-4-NITROANILINE · 2-kyan-4-nitroanilin · 5-Nitroanthranilonit · 4-Nitro-2-cyananiline · 2-Cyan-4-nitroaniline · 2-CYNO-4 NITRO ANILINE · 2-cyano-4-nitro-anilin

https://huagongshe.com/de/chemical/28532

Molekülstruktur von 2-Amino-5-nitrobenzonitril

Identifikatoren & physikalische Daten

CAS No.17420-30-3
SummenformelC7H5N3O2
Durchschnittliche Molmasse163,13 g/mol
Monoisotopische Masse163,0381764 g/mol
SMILESN#Cc1cc([N+](=O)[O-])ccc1N
InChIKeyMGCGMYPNXAFGFA-UHFFFAOYSA-N
PubChem CID28532
ChEMBLCHEMBL3560683
EC No.241-446-8
DTXSIDDTXSID0038839
Lokaler Name2-Amino-5-nitrobenzonitril

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)95,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome12
Formalladung0
Komplexität227
StoffklassenNitrogen Compounds -> Nitroanilines
Physical DescriptionYellow powder[Alfa Aesar MSDS]
Collision Cross Section125.1 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0038839]
Schmelzpunkt200-207 °C(lit.)
Siedepunkt290.19°C (rough estimate)
Dichte1.4141 (rough estimate)
Brechungsindex1.5500 (estimate)
Flammpunkt234 °C
LagerbedingungenKeep in dark place,Inert atmosphere,Room temperature
LöslichkeitDMSO (Slightly)
AggregatzustandSolid
pKa (Säurekonstante)-1.97±0.10(Predicted)
FarbeDark Yellow
BRN1425714
InChIInChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
InChIKeyMGCGMYPNXAFGFA-UHFFFAOYSA-N
SMILESC(#N)C1=CC([N+]([O-])=O)=CC=C1N
CAS Datenbank17420-30-3(CAS DataBase Reference)
EPA chemische InformationenBenzonitrile, 2-amino-5-nitro- (17420-30-3)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 56.2% (9 of 16) of all reports.WarningH315 (37.5%): 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 16 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenStatus: No longer Valid Update: 25-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31682
GefahrenübersichtCauses impaired liver function tests, changes in liver weight, and other blood changes in 30-day intermittent oral studies of rats[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See NITRILES. See p-Nitroaniline.
Hazard Classes and CategoriesSkin Irrit. 2 (37.5%)Acute toxicity (Oral) - Category 5
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode29269090
RTECS-Nr.BX2500000
R-Sätze (R)20/21/22-36/37/38
Toxizitätmouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
GefahrensymboleXn
Sicherheitshinweise (S)22-24/25-36-26
Lagerklasse11 - Combustible Solids