4-Nitro-1-naphthylamin

4-Nitro-1-naphthylamine

HCID 13057CAS 776-34-1

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Grundinformationen

Standard-SMILES: Nc1ccc([N+](=O)[O-])c2ccccc12
InChIKey: BVPJPRYNQHAOPQ-UHFFFAOYSA-N
Summenformel: C10H8N2O2
Durchschnittliche Molmasse: 188,18 g/mol
Monoisotopische Masse: 188,0585775

Namen und Bezeichner

Bevorzugter Name: 4-Nitro-1-naphthylamine
IUPAC: 4-nitronaphthalen-1-amine
Lokaler Name: 4-Nitro-1-naphthylamin
Englischer Name: 4-Nitro-1-naphthylamine
Summenformel: C10H8N2O2
Molmasse: 188.18

Namen und Synonyme

4-Nitro-1-naphthylamine1-Amino-4-nitronaphthalene1-NAPHTHYLAMINE, 4-NITRO-4-Nitro-1-naphthalenamineEINECS 212-277-7BRN 2211897AI3-62662DTXSID602282634-12-00-03114 (Beilstein Handbook Reference)RefChem:100008DTXCID80150754212-277-7

Weitere Namen anzeigen

NSC614NSC 61408890_FLUKAZINC04284753A70003_ALDRICH

BVPJPRYNQHAOPQ-UHFFFAOYSA-N776-34-14-nitronaphthalen-1-amine1-Naphthalenamine, 4-nitro-1,4-Nitronaphthylamine4-Nitro-1-naphthamine4-nitronaphthylamine4-Nitro-naphthalen-1-ylamine

Datenbank-Bezeichner

CAS: 776-34-1
PubChem CID: 13057
DTXSID: DTXSID60228263
ChEMBL: CHEMBL2312201
EC Number: 212-277-7
Nikkaji: J40.475F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index368.6

Physikochemische Eigenschaften

Schmelzpunkt: 190 · 190-193 °C(lit.)
Siedepunkt: 419 · 419.0±25.0 °C(Predicted)
Dichte: 1.366 · 1.366±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 1.31 · 1.31±0.10(Predicted)
Farbe: Light yellow to Brown
BRN: 2211897 · 2211897
InChI: 1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
InChIKey: BVPJPRYNQHAOPQ-UHFFFAOYSA-N
SMILES: Nc1ccc([N+]([O-])=O)c2ccccc12
CAS Datenbank: 776 · 776-34-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Naphthalenamine, 4-nitro-(776-34-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 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.