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Name |
Benzoic acid,3-(2-bromoethoxy)-, methyl ester |
EINECS | N/A |
CAS No. | 59516-96-0 | Density | 1.431 g/cm3 |
PSA | 35.53000 | LogP | 2.24690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11BrO3 | Boiling Point | 324.835 °C at 760 mmHg |
Molecular Weight | 259.1 | Flash Point | 150.255 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl 3-(2-bromoethoxy)benzoate; |
Article Data | 10 |
The Benzoic acid, 3-(2-bromoethoxy)-, methyl ester, with the CAS registry number of 59516-96-0, is also known as Methyl 3-(2-bromoethoxy)benzenecarboxylate. This chemical's molecular formula is C10H11BrO3 and molecular weight is 259.1. What's more, its systematic name is called Methyl 3-(2-bromoethoxy)benzoate.
Physical properties about Benzoic acid, 3-(2-bromoethoxy)-, methyl ester are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 86; (6)ACD/BCF (pH 7.4): 86; (7)ACD/KOC (pH 5.5): 844; (8)ACD/KOC (pH 7.4): 844; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 57.069 cm3; (15)Molar Volume: 181.017 cm3; (16)Surface Tension: 41.962 dyne/cm; (17)Density: 1.431 g/cm3; (18)Flash Point: 150.255 °C; (19)Enthalpy of Vaporization: 56.69 kJ/mol; (20)Boiling Point: 324.835 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(OCCBr)ccc1
(2) InChI: InChI=1/C10H11BrO3/c1-13-10(12)8-3-2-4-9(7-8)14-6-5-11/h2-4,7H,5-6H2,1H3
(3) InChIKey: CGGLKWTURIUCMN-UHFFFAOYAT