4-Methoxy-o-phenylenediamine

HCID 153404CAS 102-51-2

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Grundinformationen

Standard-SMILES: COc1ccc(N)c(N)c1
InChIKey: AGAHETWGCFCMDK-UHFFFAOYSA-N
Summenformel: C7H10N2O
Durchschnittliche Molmasse: 138,17 g/mol
Monoisotopische Masse: 138,07931294

Namen und Bezeichner

Bevorzugter Name: 4-Methoxy-o-phenylenediamine
IUPAC: 4-methoxybenzene-1,2-diamine
Englischer Name: 4-Methoxy-o-phenylenediamine
Summenformel: C7H10N2O
Molmasse: 138.17

Namen und Synonyme

4-Methoxy-o-phenylenediamine4-methoxy-1,2-phenylenediamineRefChem:524698600-319-03,4-Diaminoanisole102-51-24-methoxybenzene-1,2-diamine1,2-Benzenediamine, 4-methoxy-4-Methoxy-1,2-benzenediamine1,2-Diamino-4-methoxybenzene2-amino-4-methoxyphenylamineMFCD00047837

Weitere Namen anzeigen

3,4-DiaminoanisoL3,4-DIAMINO ANISOLE3,4-Diaminoanisidine4-Methoxy-2-aMinoaniline2-DiaMino-4-Methoxybenzene4-methoxy-2-benzenediamine4-methoxy-o-phenylenediaminp-Methoxy-o-phenylenediaMine

o-Phenylenediamine, 4-methoxy-4-Methoxy-1,2-diaminobenzene2-Amino-4-methoxy aniline1,2-diamino-4-methoxy-benzeneSTR02678AKOS000103845CS-W001175SY032808

Datenbank-Bezeichner

CAS: 102-51-2
PubChem CID: 153404
DTXSID: DTXSID00144514
UNII: 57B24QB262
EC Number: 600-319-0
Nikkaji: J141.525E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 61,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-48°C
Siedepunkt: 253.57 °C · 253.57°C (rough estimate)
Dichte: 1.1315 · 1.1315 (rough estimate)
Brechungsindex: 1.52 · 1.5200 (estimate)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Soluble in dimethyl sulfoxide and methanol.
Aggregatzustand: Solid
Farbe: Dark Brown to Black Oil
InChI: InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey: AGAHETWGCFCMDK-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC)C=C1N
CAS Datenbank: 102 · 102-51-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Sicherheitsdaten

ridadr: 2811
hs_code: 2922190090
risk_code: 23/24/25-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 6.1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Methoxy-o-phenylenediamine is widely used as an intermediate in organic synthesis and pharmaceuticals. It is an important precursor for the synthesis of other heterocyclic compounds. It is used in the determination of glyoxal, methylglyoxal, and diacetyl in urine using 4-methoxy-o-phenylenediamine as a derivatizing reagent by High-performance liquid chromatography (HPLC).