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CAS No.: | 61657-67-8 |
---|---|
Name: | 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H8Br2O2 |
Molecular Weight: | 307.9666 |
Synonyms: | 3,5-Dibromo-2-ethoxybenzaldehyde;NSC 157342; |
Density: | 1.77 g/cm3 |
Melting Point: | 87 - 87.5 °C |
Boiling Point: | 343 °C at 760 mmHg |
Flash Point: | 161.3 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
PSA: | 26.30000 |
LogP: | 3.42280 |
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The Benzaldehyde,3,5-dibromo-2-ethoxy- is an organic compound with the formula C9H8Br2O2. Its CAS registry number is 61657-67-8. The IUPAC name of this chemical is 3,5-Dibromo-2-ethoxybenzaldehyde. In addition, the molecular weight is 307.97. This chemical is irritanting and may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde,3,5-dibromo-2-ethoxy- are: (1)ACD/LogP: 4.01; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 59.69 cm3; (9)Molar Volume: 173.9 cm3; (10)Polarizability: 23.66×10-24 cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Density: 1.77 g/cm3; (13)Flash Point: 161.3 °C; (14)Enthalpy of Vaporization: 58.69 kJ/mol; (15)Boiling Point: 343 °C at 760 mmHg; (16)Vapour Pressure: 7.23E-05 mmHg at 25 °C.
Uses of Benzaldehyde,3,5-dibromo-2-ethoxy-: it can be used to produce other chemicals. For example, it is used to produce N-(4-chloro-phthalazin-1-yl)-N'-(3,5-dibromo-2-ethoxy-benzylidene)-hydrazine with 1-chloro-4-hydrazino-phthalazine. The reaction occurs with reagent 0.1N HCl at 60 ℃ for 10 min. The yield is 93 %. The reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)cc(c1OCC)C=O
(2) InChI: InChI=1/C9H8Br2O2/c1-2-13-9-6(5-12)3-7(10)4-8(9)11/h3-5H,2H2,1H3
(3) InChIKey:MHBMBLXXEWUFSQ-UHFFFAOYAI