CAS 59649-56-8 2,3-Diaminophenol (HCID 579937)

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Grundinformationen

CAS: 59649-56-8
Standard-SMILES: Nc1cccc(O)c1N
InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N
Summenformel: C6H8N2O
Durchschnittliche Molmasse: 124,14 g/mol
Monoisotopische Masse: 124,06366288

Namen und Bezeichner

Bevorzugter Name: 2,3-Diaminophenol
IUPAC: 2,3-diaminophenol
Englischer Name: 2,3-Diaminophenol
Summenformel: C6H8N2O
Molmasse: 124.14

Namen und Synonyme

2,3-Diaminophenol59649-56-8DTXSID40975046RefChem:441956DTXCID00863011627-738-1diaminophenolMFCD000751992,3-Diaminophenol, 97%3-hydroxy-o-phenylenediamineCS-W005863AC-24719

Weitere Namen anzeigen

Phenol, 2,3-diaMino-2,3-DiaMinophenol 97%2,3-Diaminophenol,97%2,3-Diaminophenolsulfate2,3-diaminophenol59649-56-81,2,3,4,5-Cyclopentanepentayl,1-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(R)-(dimethylamino)phenylmethyl]-,ironsalt(2:6)

EN300-1245302,3-DiaminophenBCP175762,3-diamino-phenolAM20040809SCHEMBL190980SCHEMBL420697orb3030127

Datenbank-Bezeichner

CAS: 59649-56-8
PubChem CID: 579937
DTXSID: DTXSID40975046
EC Number: 627-738-1
Nikkaji: J801.832D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 72,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97,1

Physikochemische Eigenschaften

Schmelzpunkt: 161 · 161-165 °C (lit.)
Siedepunkt: 303.6 · 303.6±27.0 °C(Predicted)
Dichte: 1.343 · 1.343±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.81 · 9.81±0.10(Predicted)
Aggregatzustand: Granular or Crystalline Powder or Crystals
Farbe: White
InChI: 1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2
InChIKey: PCAXITAPTVOLGL-UHFFFAOYSA-N
SMILES: Nc1cccc(O)c1N
CAS Datenbank: 59649 · 59649-56-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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 43 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 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29222990
risk_code: 20/22-36/37/38
hazard_code: Xn
safety_code: 26
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Diaminophenol was used:in one-pot microwave assisted synthesis of amino-1,5-benzoxazepines and hydroxyl-1,5-benzodiazepines in the electrosynthesis of poly(2,3-diaminophenol) via electro-oxidation in a synthesis of tetradentate Schiff base complexes via reaction with salicylaldehyde or 5-bromosalicylaldehyde and metals such as Mn(III), Ni(II) and Cu(II)