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CAS No.: | 1208075-44-8 |
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Name: | Ethyl 2-broMo-5-iodobenzoate |
Molecular Structure: | |
Formula: | C9H8BrIO2 |
Molecular Weight: | 354.97 |
Synonyms: | Ethyl 2-broMo-5-iodobenzoate;2-Bromo-5-iodobenzoic acid ethyl ester;Benzoic acid, 2-bromo-5-iodo-, ethyl ester |
Density: | 1.949 g/cm3 |
Boiling Point: | 341.79 °C at 760 mmHg |
Flash Point: | 160.509 °C |
PSA: | 26.30000 |
LogP: | 3.23040 |
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The Ethyl 2-bromo-5-iodobenzoate, with the CAS registry number 1208075-44-8, is also known as Benzoic acid, 2-bromo-5-iodo-, ethyl ester. This chemical's molecular formula is C9H8BrIO2 and molecular weight is 354.97. What's more, its systematic name is Ethyl 2-bromo-5-iodobenzoate.
Physical properties of 4-Hydroxy-3-nitrobenzoic acid are: (1)ACD/LogP: 4.116; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 790.64; (6)ACD/BCF (pH 7.4): 790.64; (7)ACD/KOC (pH 5.5): 4130.24; (8)ACD/KOC (pH 7.4): 4130.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 63.256 cm3; (15)Molar Volume: 182.09 cm3; (16)Polarizability: 25.077×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.949 g/cm3; (19)Flash Point: 160.509 °C; (20)Enthalpy of Vaporization: 58.548 kJ/mol; (21)Boiling Point: 341.79 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc(ccc1Br)I
(2)Std. InChI: InChI=1S/C9H8BrIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
(3)Std. InChIKey: AESBDCQWLOZBNY-UHFFFAOYSA-N