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CAS Number: 77337-82-7
1-bromo-2-methoxy-4-nitrobenzene

Structure

1-bromo-2-methoxy-4-nitrobenzene
Name: 1-bromo-2-methoxy-4-nitrobenzene
Synonyms:
General Information
Product Number: 77337827

CAS Registry Number 77337-82-7
Name:
Benzene, 1-​bromo-​2-​methoxy-​4-​nitro-
1-Bromo-2-methoxy-4-nitrobenzene
2-Bromo-5-nitroanisole
4-Bromo-3-methoxynitrobenzene
NSC 405572

 

Chemical Formula: C7H6BrNO3
Exact Mass: 230.95
Molecular Weight: 232.03
m/z: 230.95 (100.0%), 232.95 (97.3%), 231.96 (7.8%), 233.95 (7.7%)

 

InChI:InChI=1S/C7H6BrNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

InChI Key:NTKADLOYTKVXQN-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC(=C1)[N+](=O)[O-])Br

 

Thermal Properties Value Condition Note
Melting Point 104 °C   (2)CAS
Melting Point 103-104 °C Solv: ethanol (64-17-5) (3)IC
Melting Point 101-102 °C   (4)CAS
Melting Point 101-102 °C   (5)CAS

Specification

98%

References
  1. (2) Hanford, W. E.; Journal of the American Chemical Society 1935, V57, P1592-5 CAPLUS
  2. (3) Ramsden, Christopher A.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (9), P2456-63 CAPLUS
  3. (4) Lee, Young Min; Tetrahedron 2010, V66(37), P7418-7422 CAPLUS
  4. (5) Moon, Mi-Eun; Tetrahedron Letters 2010, V51(51), P6769-6771 CAPLUS
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