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Name |
Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester |
EINECS | N/A |
CAS No. | 127168-91-6 | Density | 1.728 g/cm3 |
PSA | 26.30000 | LogP | 3.26300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10Br2O2 | Boiling Point | 375.4 °C at 760 mmHg |
Molecular Weight | 321.996 | Flash Point | 180.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 2,3-bis(bromomethyl)benzoate; |
Article Data | 7 |
The Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester has the CAS registry number 127168-91-6. This chemical's molecular formula is C10H10Br2O2 and molecular weight is 321.99. What's more, its systematic name is methyl 2,3-bis(bromomethyl)benzoate.
Physical properties of Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester are: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 367.71; (6)ACD/BCF (pH 7.4): 367.71; (7)ACD/KOC (pH 5.5): 2387.76; (8)ACD/KOC (pH 7.4): 2387.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 63.32 cm3; (15)Molar Volume: 186.3 cm3; (16)Polarizability: 25.1×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.728 g/cm3; (19)Flash Point: 180.8 °C; (20)Enthalpy of Vaporization: 62.29 kJ/mol; (21)Boiling Point: 375.4 °C at 760 mmHg; (22)Vapour Pressure: 7.82E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cccc1CBr)C(=O)OC
(2)InChI: InChI=1S/C10H10Br2O2/c1-14-10(13)8-4-2-3-7(5-11)9(8)6-12/h2-4H,5-6H2,1H3
(3)InChIKey: AIZKAMIZWQQDNG-UHFFFAOYSA-N