2-Amino-4-tert-butylphenol

HCID 70982

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Grundinformationen

CAS: 1199-46-8
Standard-SMILES: CC(C)(C)c1ccc(O)c(N)c1
InChIKey: RPJUVNYXHUCRMG-UHFFFAOYSA-N
Summenformel: C10H15NO
Durchschnittliche Molmasse: 165,23 g/mol
Monoisotopische Masse: 165,1153641

Überblick

inhibits peroxidase-catalyzed oxidation of 3,3',5,5'-tetramethylbenzidine

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-tert-butylphenol
IUPAC: 2-amino-4-tert-butylphenol
Lokaler Name: 2-Amino-4-tert-butylphenol
Englischer Name: 2-Amino-4-tert-butylphenol
Summenformel: C10H15NO
Molmasse: 165.23

Namen und Synonyme

2-Amino-4-tert-butylphenol1199-46-828021LMQ3DNSC-23803DTXSID60152615ATBP cpdRefChem:464377DTXCID0075106214-844-42-amino-4-(tert-butyl)phenolPhenol, 2-amino-4-(1,1-dimethylethyl)-2-Amino-4-tert-butyl-phenol

Weitere Namen anzeigen

hydrogen arsorite2-Amino-4-tert-butyLT-BUTYL-O-AMINOPHENOLo-Amino-p-tert-butylphenolp-tert-Butyl-o-aminophenol2-Amino-4tertutyl plenol2-HYDROXY-5-TERT-BUTYLANILINE

2-amino-4-t-butylphenol4-tert-butyl-2-aminophenolMFCD00007698Oprea1_1289022-azanyl-4-tert-butyl-phenolMLS000036528HMS1474O17NSC 23803

Datenbank-Bezeichner

CAS: 1199-46-8
PubChem CID: 70982
DTXSID: DTXSID60152615
ChEMBL: CHEMBL1321329
UNII: 28021LMQ3D
EC Number: 214-844-4
Nikkaji: J31.051D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-163 °C(lit.)
Siedepunkt: 293.09 °C · 293.09°C (rough estimate)
Dichte: 1.0203 · 1.0203 (rough estimate)
Brechungsindex: 1.529 · 1.5290 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 9.97 · 9.97±0.18(Predicted)
Farbe: White to Brown
InChI: InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
InChIKey: RPJUVNYXHUCRMG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(C)(C)C)C=C1N
CAS Datenbank: 1199 · 1199-46-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-4-tert-butylphenol can be used as a reactant to prepare: 4-tert-butyl-2-[(pyridylmethylene)amino]phenol intermediates, which are used to synthesize biologically important 2-(pyridyl)benzoxazole derivatives.Prolinamide phenols, as efficient hydrophobic organocatalysts for direct asymmetric aldol reaction aldehydes and ketones in water.N-(2-hydroxy-4-tert-butylphenyl)-acetamide, a key intermediate to prepare uranylsalophene derivatives which can be used as selective receptors in anion sensitive membrane sensors.Poly(2-amino-4-tert-butylphenol) [poly(2A-4TBP)] by electrochemical or chemical oxidative polymerization reaction.