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CAS Number: 101980-41-0
2-bromo-1-isopropyl-4-nitrobenzene

Structure

2-bromo-1-isopropyl-4-nitrobenzene
Name: 2-bromo-1-isopropyl-4-nitrobenzene
Synonyms:
General Information
Product Number: 101980410
CAS Registry Number: 101980-41-0
Name:
        Benzene, 2-​bromo-​1-​(1-​methylethyl)​-​4-​nitro-
        Cumene, 2-​bromo-​4-​nitro- (6CI); 1-​Bromo-​2-​isopropyl-​5-​nitrobenzene; 2-​Bromo-​4-​nitro-​1-​isopropylbenzene 
 
Chemical Formula: C9H10BrNO2
Exact Mass: 242.99
Molecular Weight: 244.09
m/z: 242.99 (100.0%), 244.99 (97.7%), 243.99 (10.2%), 245.99 (9.7%)
Elemental Analysis: C, 44.29; H, 4.13; Br, 32.74; N, 5.74; O, 13.11
 
InChI: InChI=1S/C9H10BrNO2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,1-2H3
InChIKey: QMWKRZOLOPHTIM-UHFFFAOYSA-N
Canonical SMILES : CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])Br
 
Thermal Properties Value Condition Note
Boiling Point 166-172 °C Press: 26 Torr (1)CAS
Boiling Point 155-160 °C Press: 15 Torr (2)CAS
Boiling Point 148-153 °C Press: 10 Torr (3)CAS
Boiling Point 125-128 °C Press: 5 Torr (4)CAS

Specification

98%

References
  1. (1) Cotter, J. L.; Journal of Organic Chemistry 1963, V28(7), P1917-19 CAPLUS
  2. (2) Crawford, Malcolm; Journal of the Chemical Society 1952, P4443-7 CAPLUS
  3. (3) Chapman, N. B.; Journal of the Chemical Society 1962, P1824-32 CAPLUS
  4. (4) Klouwen, M. H.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1960, V79, P1022-33 CAPLUS
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