3-Methoxy-5-nitroaniline

HCID 2759598

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Grundinformationen

CAS: 586-10-7
Standard-SMILES: COc1cc(N)cc([N+](=O)[O-])c1
InChIKey: BGWUXZLHDLNYHW-UHFFFAOYSA-N
Summenformel: C7H8N2O3
Durchschnittliche Molmasse: 168,15 g/mol
Monoisotopische Masse: 168,05349212

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-5-nitroaniline
IUPAC: 3-methoxy-5-nitroaniline
Englischer Name: 3-METHOXY-5-NITROANILINE
Summenformel: C7H8N2O3
Molmasse: 168.15

Namen und Synonyme

3-methoxy-5-nitroaniline586-10-7DTXSID70374861RefChem:503175DTXCID50325891672-085-83-methoxy-5-nitro-phenylamine(3-methoxy-5-nitrophenyl)amine3-methoxy-5-nitrophenylamineMFCD01103799benzenamine, 3-methoxy-5-nitro-aniline, 3-methoxy-5-nitro-

Weitere Namen anzeigen

CHEMBRDG-BB 4009255(3-methoxy-5-nitrophenyl)amine(SALTDATA: FREE)

3-methoxy-5-nitro-aniline5-Nitro-m-anisidine3-Amino-5-nitroanisolSCHEMBL189811AKOS BB-9261SCHEMBL31118853AKOS B014360ART-CHEM-BB B014360

Datenbank-Bezeichner

CAS: 586-10-7
PubChem CID: 2759598
DTXSID: DTXSID70374861
EC Number: 672-085-8
Nikkaji: J154.689I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 81,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119 °C
Siedepunkt: 365.3 · 365.3±22.0 °C(Predicted)
Dichte: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 2.1 · 2.10±0.10(Predicted)
Aggregatzustand: powder
Farbe: Orange
CAS Datenbank: 586 · 586-10-7(CAS DataBase Reference)

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.