-
Name
1,5-Dibromo-2,6-naphthalenedicarboxylic acid dimethyl ester
- EINECS
- CAS No. 59950-04-8
- Density 1.735 g/cm3
- Solubility
- Melting Point
- Formula C14H10Br2O4
- Boiling Point 447 °C at 760 mmHg
- Molecular Weight 402.039
- Flash Point 224.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,6-naphthalenedicarboxylic acid, 1,5-dibromo-, dimethyl ester;Dimethyl 1,5-dibromonaphthalene-2,6-dicarboxylate;
- PSA 52.60000
- LogP 3.93800
1,5-Dibromo-2,6-naphthalenedicarboxylic acid dimethyl ester Specification
The CAS register number of 1,5-Dibromo-2,6-naphthalenedicarboxylic acid dimethyl ester is 59950-04-8. It also can be called as Dimethyl 1,5-dibromonaphthalene-2,6-dicarboxylate and the systematic name about this chemical is 2,6-naphthalenedicarboxylic acid, 1,5-dibromo-, dimethyl ester. The molecular formula about this chemical is C14H10Br2O4 and molecular weight is 402.03.
Physical properties about 1,5-Dibromo-2,6-naphthalenedicarboxylic acid dimethyl ester are: (1)ACD/LogP: 4.17; (2)ACD/LogD (pH 5.5): 4.17; (3)ACD/LogD (pH 7.4): 4.17; (4)ACD/BCF (pH 5.5): 870.32; (5)ACD/BCF (pH 7.4): 870.32; (6)ACD/KOC (pH 5.5): 4424.09; (7)ACD/KOC (pH 7.4): 4424.09; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6Å2; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 83.02 cm3; (13)Molar Volume: 231.7 cm3; (14)Polarizability: 32.91x10-24cm3; (15)Surface Tension: 51.8 dyne/cm; (16)Flash Point: 224.1 °C; (17)Enthalpy of Vaporization: 70.53 kJ/mol; (18)Boiling Point: 447 °C at 760 mmHg; (19)Vapour Pressure: 3.48E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1Br)ccc(c2Br)C(=O)OC
(2)InChI: InChI=1/C14H10Br2O4/c1-19-13(17)9-5-3-8-7(11(9)15)4-6-10(12(8)16)14(18)20-2/h3-6H,1-2H3
(3)InChIKey: AYNJKLGLVWJRJK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C14H10Br2O4/c1-19-13(17)9-5-3-8-7(11(9)15)4-6-10(12(8)16)14(18)20-2/h3-6H,1-2H3
(5)Std. InChIKey: AYNJKLGLVWJRJK-UHFFFAOYSA-N
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