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CAS Number: 70729-05-4
1-bromo-4-(tert-butyl)-2-nitrobenzene

Structure

1-bromo-4-(tert-butyl)-2-nitrobenzene
Name: 1-bromo-4-(tert-butyl)-2-nitrobenzene
Synonyms:
General Information
Product Number: 70729054
CAS Registry Number: 70729-05-4
Name:
        Benzene, 1-​bromo-​4-​(1,​1-​dimethylethyl)​-​2-​nitro-
        Benzene, 1-​bromo-​4-​tert-​butyl-​2-​nitro- (7CI) 
 
Chemical Formula: C10H12BrNO2
Exact Mass: 257.01
Molecular Weight: 258.11
m/z: 257.01 (100.0%), 259.00 (97.3%), 258.01 (11.0%), 260.01 (10.8%), 259.01 (1.0%)
Elemental Analysis: C, 46.53; H, 4.69; Br, 30.96; N, 5.43; O, 12.40
 
InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChIKey: XACFLGSMDUITKB-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Specification

98%

References
  1. (1) Wegner, Hermann A.; Journal of Organic Chemistry 2006, V71(24), P9080-9087 CAPLUS
  2. (2) Wolf, Christian; Chemical Communications (Cambridge, United Kingdom) 2006, (40), P4242-4244 CAPLUS
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