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HCID 7485Erstellt: 26. Oktober 2026

4-Nitroanisol

1-METHOXY-4-NITROBENZENE · Nitroanisole · 4-Nitroanisol · p-Nitroanisol · PARA-NITROANISOLE · 4-Nitroanisole,98% · p-nitro-anisol · 4-NITROANISOLE

https://huagongshe.com/de/chemical/7485

Molekülstruktur von 4-Nitroanisol

Identifikatoren & physikalische Daten

CAS No.100-17-4
SummenformelC7H7NO3
Durchschnittliche Molmasse153,14 g/mol
Monoisotopische Masse153,04259308 g/mol
SMILESCOc1ccc([N+](=O)[O-])cc1
InChIKeyBNUHAJGCKIQFGE-UHFFFAOYSA-N
PubChem CID7485
ChEMBLCHEMBL57537
ChEBICHEBI:1911
EC No.202-825-3
DTXSIDDTXSID9059208
Lokaler Name4-Nitroanisol

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)55,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität135
StoffklassenNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)2.05
Dampfdruck0.01 [mmHg]
Physical DescriptionSolid[Merck Index] Beige crystalline solid[Sigma-Aldrich MSDS]
Schmelzpunkt51-53 °C
Siedepunkt260 °C
Dichte1.233 g/mL at 25 °C(lit.)
Brechungsindex1.5030 (estimate)
Flammpunkt130 °C
AggregatzustandCrystals
Wichte1.233
FarbeGreen to brown
Löslichkeit0.468 g/L (20 ºC)
Merck14,6584
BRN1865361
Henry-Konstante5.0×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Dielektrizitätskonstante24.0(20℃)
StabilitätStable. Incompatible with strong oxidizing agents, strong bases.
InChI1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKeyBNUHAJGCKIQFGE-UHFFFAOYSA-N
SMILESCOc1ccc(cc1)[N+]([O-])=O
CAS Datenbank100-17-4(CAS DataBase Reference)
NIST chemische InformationenBenzene, 1-methoxy-4-nitro-(100-17-4)
EPA chemische Informationenp-Nitroanisole (100-17-4)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.WarningH341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger
Regulatorische InformationenChemical: Benzene, 1-methoxy-4-nitro-Hazard Traits - Carcinogenicity
Weitere SicherheitsinformationenEvaluation - Benzene, 1-methoxy-4-nitro-
GefahrenübersichtCauses fatty liver degeneration in oral lethal-dose studies of mice[RTECS] A strong oxidizing agentMay cause skin, eye, and mucous membrane irritation[CAMEO] May cause irritationMay induce methemoglobinemia[Sigma-Aldrich MSDS] See o-Nitroanisole.
DOT Hazard ClassificationNitroanisole, liquidUN2730Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor
Hazard Classes and CategoriesMuta. 2 (66.7%)Self-reactive substances and mixtures - Type GCarcinogenicity - Category 1B
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.
Carcinogen Classificationpara-NitroanisoleGroup 2B: Possibly carcinogenic to humansVolume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals2020 online2018
Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3458 6.1/PG III (NITROANISOLES, SOLID)
Zollcode29093090
RTECS-Nr.BZ8800000
R-Sätze (R)52/53-68
GefahrensymboleXn
Sicherheitshinweise (S)61-36/37
Gefahrenklasse6.1Aquatic Chronic 3Carc. 2
VerpackungsgruppeIII
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Anwendungen & Verwendung

Verwenden

4-Nitroanisole is an intermediate in the manufacture of azo dyes. A toxic organic pollutant and a risk factor for urinary bladder cancer in humans.

Herstellung & Synthese

synthetische

Produced from p-nitrochlorobenzene by methoxylation.