2-Bromo-4-(tert-butyl)aniline
Grundinformationen
- CAS
103273-01-4- Standard-SMILES
CC(C)(C)c1ccc(N)c(Br)c1- InChIKey
OLKYFBNIFKQRIZ-UHFFFAOYSA-N- Summenformel
- C10H14BrN
- Durchschnittliche Molmasse
- 228,13 g/mol
- Monoisotopische Masse
- 227,03096
Namen und Bezeichner
- Bevorzugter Name
- 2-Bromo-4-(tert-butyl)aniline
- IUPAC
- 2-bromo-4-tert-butylaniline
- Englischer Name
- 2-Bromo-4-tert-butylaniline
- Summenformel
- C10H14BrN
- Molmasse
- 228.13
Namen und Synonyme
2-Bromo-4-(tert-butyl)anilineRefChem:466458674-463-82-bromo-4-tert-butylaniline103273-01-42-bromo-4-tert-butyl-phenylamineMFCD000526932-bromo-4-tert-butylphenylamineNSC43041Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-SCHEMBL3962152-bromo-4-(tertbutyl)aniline
Weitere Namen anzeigen
1-Amino-2-brom-4-tert-butylbenzol1-Amino-2-bromo-4-(tert-butyl)benzene2-Bromo-4-(1,1-dimethylethyl)benzenamineBenzenamine,2-bromo-4-(1,1-dimethylethyl)-
DTXSID90285864NSC-43041EN300-1103032-Bromo-4-tertbutylaniline2-bromo-4-tert-butyl-anilineBUTTPARK 83\07-24FT-06425262-bromo-4-t-butyl aniline
Datenbank-Bezeichner
- CAS
103273-01-4- PubChem CID
- 238591
- DTXSID
DTXSID90285864- EC Number
- 674-463-8
- Nikkaji
- J1.673.481K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 150
Physikochemische Eigenschaften
- Siedepunkt
- 265 °C · 265°C(lit.)
- Dichte
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.568 to · 1.5680 to 1.5720
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.86 · 2.86±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Red to Green
- InChI
- InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3
- InChIKey
- OLKYFBNIFKQRIZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(C(C)(C)C)C=C1Br
- CAS Datenbank
- 103273 · 103273-01-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- hs_code
- 2921490090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemie und Industrie
Anwendungen
Verwenden2-Bromo-4-tert-butylaniline is commonly employed in organic synthesis for the production of various compounds, including 8-Bromo-6-tert-butylquinoline. It can also be used in the production of dyes and pigments, pharmaceutical intermediates, and agrochemicals.
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