-
Name
2,6-dibromo-3-methyl-4-nitroanisole
- EINECS 263-479-7
- CAS No. 62265-99-0
- Density 1.868 g/cm3
- Solubility
- Melting Point
- Formula C8H7Br2NO3
- Boiling Point 354.5 °C at 760 mmHg
- Molecular Weight 324.95408
- Flash Point 168.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2, 6-Dibromo-3-methyl-4-nitroanisole;
- PSA 55.05000
- LogP 3.96000
Benzene,1,3-dibromo-2-methoxy-4-methyl-5-nitro- Specification
The Benzene, 1, 3-dibromo-2-methoxy-4-methyl-5-nitro-, with the CAS registry number of 62265-99-0, is also known as 2, 6-Dibromo-3-methyl-4-nitroanisole. It belongs to the product category of Organics. Its EINECS registry number is 263-479-7. This chemical's molecular formula is C8H7Br2NO3 and molecular weight is 324.95408. What's more, its IUPAC name is 1, 3-Dibromo-2-methoxy-4-methyl-5-nitrobenzene.
Physical properties about Benzene, 1, 3-dibromo-2-methoxy-4-methyl-5-nitro- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 157.69; (6)ACD/BCF (pH 7.4): 157.69; (7)ACD/KOC (pH 5.5): 1302.53; (8)ACD/KOC (pH 7.4): 1302.53; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 59.68 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 23.65×10-24 cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.868 g/cm3; (19)Flash Point: 168.2 °C; (20)Enthalpy of Vaporization: 57.59 kJ/mol; (21)Boiling Point: 354.5 °C at 760 mmHg; (22)Vapour Pressure: 6.8E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(c(Br)c1OC)C)[N+]([O-])=O
(2) InChI: InChI=1/C8H7Br2NO3/c1-4-6(11(12)13)3-5(9)8(14-2)7(4)10/h3H,1-2H3
(3) InChIKey: RBAJFFLBHVZCDY-UHFFFAOYAQ
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