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HCID 97068Erstellt: 24. Oktober 2026

4-Bromo-2-tert-butylphenol

2-tert-Butyl-4-bromophenol · NSC 98326 · 4-Bromo-2-tert-butylphenol · 4-Bromo-2-tert-butylphenol >4-Bromo-2-tert-butylphenol · Phenol,4-broMo-2-(1,1-diMethylethyl)-

https://huagongshe.com/de/chemical/97068

Molekülstruktur von 4-Bromo-2-tert-butylphenol

Identifikatoren & physikalische Daten

CAS No.10323-39-4
SummenformelC10H13BrO
Durchschnittliche Molmasse229,11 g/mol
Monoisotopische Masse228,01497714 g/mol
SMILESCC(C)(C)c1cc(Br)ccc1O
InChIKeyIKMJSWBFODAWTC-UHFFFAOYSA-N
PubChem CID97068
EC No.806-942-6
DTXSIDDTXSID60145704

Chemische & physikalische Eigenschaften

XLogP3,9
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome12
Formalladung0
Komplexität150
Siedepunkt128-130℃ (6 Torr)
Dichte1.341±0.06 g/cm3 (20 ºC 760 Torr)
Brechungsindex1.5590 to 1.5630
Flammpunkt105.9±21.8℃
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustandclear liquid
pKa (Säurekonstante)10.77±0.18(Predicted)
FarbeColorless to Light yellow
InChIInChI=1S/C10H13BrO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
InChIKeyIKMJSWBFODAWTC-UHFFFAOYSA-N
SMILESC1(O)=CC=C(Br)C=C1C(C)(C)C

Sicherheit & Vorschriften

GHS-EinstufungWarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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