4-Amino-2,5-xylenol

4-Amino-2,5-dimethylphenol

HCID 76544CAS 3096-71-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cc(O)c(C)cc1N
InChIKey: JSWVCUXQICMATE-UHFFFAOYSA-N
Summenformel: C8H11NO
Durchschnittliche Molmasse: 137,18 g/mol
Monoisotopische Masse: 137,08406397

Namen und Bezeichner

Bevorzugter Name: 4-Amino-2,5-dimethylphenol
IUPAC: 4-amino-2,5-dimethylphenol
Lokaler Name: 4-Amino-2,5-xylenol
Englischer Name: 4-Amino-2,5-dimethylphenol
Summenformel: C8H11NO
Molmasse: 137.18

Namen und Synonyme

4-Amino-2,5-dimethylphenol3096-71-7Phenol, 4-amino-2,5-dimethyl-2,5-dimethyl-4-hydroxyaniline2,5-Xylenol, 4-amino-2,5-Dimethyl-4-aminophenolEINECS 221-449-0UNII-RF4R93709TRF4R93709T(2,5-DIMETHYL-4-HYDROXYPHENYL)AMINEDTXSID30184948RefChem:97683

Weitere Namen anzeigen

4-Amino-2,5-xylenol >2,5-Dimethyl-4-aminophenol4-azanyl-2,5-dimethyl-phenol4-Hydroxy-2,5-dimethylaniline2,5-dimethyl-4-hydroxy aniline4-Amino-2,5-dimethylphenol,95%4-AMINO-2,5-DIMETHYLPHENOL, TECH.

DTXCID70107439221-449-0InChI=1/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2HJSWVCUXQICMATE-UHFFFAOYSA-N4-Amino-2,5-xylenol4-amino-2,5-dimethyl-phenolMFCD000078734-amino -2,5-dimethylphenol

Datenbank-Bezeichner

CAS: 3096-71-7
PubChem CID: 76544
DTXSID: DTXSID30184948
UNII: RF4R93709T
EC Number: 221-449-0
Nikkaji: J217.270D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 242 · 242-243 °C (lit.)
Siedepunkt: 288.4 · 288.4±28.0 °C(Predicted)
Dichte: 1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Powder
pka: 1 · pK1: 5.28(+1);pK2: 10.40(0) (25°C)
Farbe: White to beige
Stabilität: Stable. Incompatible with acids, chloroformates, acid anhydrides, acid chlorides, strong oxidizing agents.
InChI: 1S/C8H11NO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,9H2,1-2H3
InChIKey: JSWVCUXQICMATE-UHFFFAOYSA-N
SMILES: Cc1cc(O)c(C)cc1N
CAS Datenbank: 3096 · 3096-71-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (42.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (98.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29222990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3