Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl ester |
EINECS | N/A |
CAS No. | 107048-59-9 | Density | 1.383 g/cm3 |
PSA | 35.53000 | LogP | 2.74180 |
Solubility | N/A | Melting Point |
94℃ |
Formula | C12H13BrO3 | Boiling Point | 383.487 °C at 760 mmHg |
Molecular Weight | 285.137 | Flash Point | 185.726 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[2-(Bromomethyl)phenyl]-3-methoxyacrylicacid methyl ester;3-Methoxy-2-(2-(bromomethyl)phenyl)acrylic acid methylester;Methyl 2-(2-bromomethylphenyl)-3-methoxyacrylate;Methyl a-(2-bromomethylphenyl)-b-methoxyacrylate;a-(2-Bromomethylphenyl)-b-methoxyacrylic acid methyl ester; |
Article Data | 5 |
The cas register number of 2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl ester is 107048-59-9. It also can be called as Methyl 2-(2-bromomethylphenyl)-3-methoxyacrylate and the Systematic name about this chemical is methyl (2Z)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate.
Physical properties about 2-(Bromomethyl)-alpha-(methoxymethylene)benzeneacetic acid methyl ester are: (1)ACD/LogP: 3.10; (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): 106; (6)ACD/BCF (pH 7.4): 106; (7)ACD/KOC (pH 5.5): 978; (8)ACD/KOC (pH 7.4): 978; (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: 1.556; (14)Molar Refractivity: 66.219 cm3; (15)Molar Volume: 206.117 cm3; (16)Surface Tension: 41.608 dyne/cm; (17)Density: 1.383 g/cm3; (18)Flash Point: 185.726 °C; (19)Enthalpy of Vaporization: 63.203 kJ/mol; (20)Boiling Point: 383.487 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: BrCc1ccccc1\C(=C\OC)C(=O)OC
2.InChI: InChI=1/C12H13BrO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8-
3.InChIKey: MGUDGDSNHPKOLL-FLIBITNWBC
4.Std. InChI: InChI=1S/C12H13BrO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8-.