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CAS Number: 850012-44-1
4-bromo-2-(tert-butyl)aniline

Structure

4-bromo-2-(tert-butyl)aniline
Name: 4-bromo-2-(tert-butyl)aniline
Synonyms:
General Information
Product Number: 850012441
CAS Registry Number:
850012-44-1
Name:
Benzenamine, 4-​bromo-​2-​(1,​1-​dimethylethyl)​-
4-​Bromo-​2-​(1,​1-​dimethylethyl)​aniline; 4-​Bromo-​2-​tert-​butylaniline 
 
Chemical Formula: C10H14BrN
Exact Mass: 227.03
Molecular Weight: 228.13
m/z: 227.03 (100.0%), 229.03 (97.3%), 228.03 (11.2%), 230.03 (10.9%)
Elemental Analysis: C, 52.65; H, 6.19; Br, 35.03; N, 6.14
 
InChI: InChI=1S/C10H14BrN/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,12H2,1-3H3
InChIKey: MRHVSOBPZBXNEB-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=C(C=CC(=C1)Br)N
 
Thermal Properties Value Condition Note
Boiling Point 146-147 °C Press: 9 Torr (1)CAS

Specification

98%

References
  1. (1) Price, Charles C.; Journal of the American Chemical Society 1950, V72, P2807-8 CAPLUS
  2. (2) Arisawa, Mieko; Tetrahedron Letters 2010, V51(23), P3116-3118 CAPLUS
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