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Name |
Benzene,1,3,5-tribromo-2-methoxy- |
EINECS | N/A |
CAS No. | 607-99-8 | Density | 2.128 g/cm3 |
PSA | 9.23000 | LogP | 3.98270 |
Solubility | N/A | Melting Point |
84-88 °C(lit.) |
Formula | C7H5Br3O | Boiling Point | 298 °C at 760 mmHg |
Molecular Weight | 344.828 | Flash Point | 121.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Anisole,2,4,6-tribromo- (6CI,7CI,8CI);1,3,5-Tribromo-2-methoxybenzene;1-Methoxy-2,4,6-tribromobenzene;2,4,6-Tribromoanisole;Methyl2,4,6-tribromophenyl ether;NSC 2218; |
Article Data | 15 |
The Benzene,1,3,5-tribromo-2-methoxy-, with CAS registry number 607-99-8, has the systematic name of 1,3,5-tribromo-2-methoxy-benzene. Besides this, it is also called benzene, 1,3,5-tribromo-2-methoxy-. And the chemical formula of this chemical is C7H5Br3O.
Physical properties of Benzene,1,3,5-tribromo-2-methoxy-: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.607; (10)Molar Refractivity: 56 cm3; (11)Molar Volume: 161.9 cm3; (12)Polarizability: 22.2×10-24cm3; (13)Surface Tension: 43.2 dyne/cm; (14)Enthalpy of Vaporization: 51.64 kJ/mol; (15)Vapour Pressure: 0.00231 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,4,6-tribromo-phenol and iodomethane. This reaction will need reagent NaH and solvent hexamethylphosphoric acid triamide. The reaction time is 1 hour(s). The yield is about 58.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(Br)cc(Br)cc1Br
(2)InChI: InChI=1/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
(3)InChIKey: YXTRCOAFNXQTKL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
(5)Std. InChIKey: YXTRCOAFNXQTKL-UHFFFAOYSA-N