Basic Information | Post buying leads | Suppliers |
Name |
1-Bromo-2-methoxy-3-nitrobenzene |
EINECS | 807-179-1 |
CAS No. | 98775-19-0 | Density | 1.64 g/cm3 |
PSA | 55.05000 | LogP | 2.88910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H6BrNO3 | Boiling Point | 296.418 °C at 760 mmHg |
Molecular Weight | 232.034 | Flash Point | 133.069 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Bromo-2-methoxy-3-nitrobenzene;2-Bromo-6-nitroanisole; |
The Benzene,1-bromo-2-methoxy-3-nitro-, with the CAS registry number 98775-19-0, is also known as 2-Bromo-6-nitrophenyl methyl ether. This chemical's molecular formula is C7H6BrNO3 and molecular weight is 230.95. Its IUPAC name is called 1-bromo-2-methoxy-3-nitrobenzene.
Physical properties of Benzene,1-bromo-2-methoxy-3-nitro-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 333; (8)ACD/KOC (pH 7.4): 333; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 47.167 cm3; (14)Molar Volume: 141.462 cm3; (15)Surface Tension: 46.761 dyne/cm; (16)Density: 1.64 g/cm3; (17)Flash Point: 133.069 °C; (18)Enthalpy of Vaporization: 51.473 kJ/mol; (19)Boiling Point: 296.418 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1Br)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
(3)InChIKey: YAYBLVOBUIXMQY-UHFFFAOYSA-N