4-Amino-o-kresol

5-Amino-2-hydroxytoluene

HCID 76081

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Grundinformationen

CAS: 2835-96-3
Standard-SMILES: Cc1cc(N)ccc1O
InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N
Summenformel: C7H9NO
Durchschnittliche Molmasse: 123,15 g/mol
Monoisotopische Masse: 123,06841391

Namen und Bezeichner

Bevorzugter Name: 5-Amino-2-hydroxytoluene
IUPAC: 4-amino-2-methylphenol
Lokaler Name: 4-Amino-o-kresol
Englischer Name: 4-Amino-2-methylphenol
Summenformel: C7H9NO
Molmasse: 123.15

Namen und Synonyme

4-Amino-2-methylphenol2835-96-34-Amino-o-cresolPhenol, 4-amino-2-methyl-5-Amino-2-hydroxytoluene4-Hydroxy-3-methylaniline2-Methyl-4-aminophenolo-Cresol, 4-amino-2-methyl-p-aminophenolCS8D10SY5LEINECS 220-619-14A2MP

Weitere Namen anzeigen

4-Amino-o-cresol >4-Amino-o-cresol,97%4-Amino-2-methylphen4-AMINO-O-CRESOL 98+%4-Amino-o-cresol (OH=1)

DTXSID2062662RefChem:532191DTXCID6037809220-619-12635-95-2p-Amino-o-cresol4-Amino-2-methyl-phenolMFCD00007878

Datenbank-Bezeichner

CAS: 2835-96-3
PubChem CID: 76081
DTXSID: DTXSID2062662
ChEMBL: CHEMBL3092391
UNII: CS8D10SY5L
EC Number: 220-619-1
Nikkaji: J13.764B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Schmelzpunkt: 174 · 174-176 °C(lit.)
Siedepunkt: 229.26 °C · 229.26°C (rough estimate)
Dichte: 1.0877 · 1.0877 (rough estimate)
Brechungsindex: 1.5706 · 1.5706 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 10.57 · 10.57±0.18(Predicted)
Farbe: White to Gray to Brown
InChI: InChI=1S/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H3
InChIKey: HDGMAACKJSBLMW-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N)C=C1C
CAS Datenbank: 2835 · 2835-96-3(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Amino-o-cresol (2835-96-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (92.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P354+P338, P317, P330, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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.