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Name |
Dimethyl 2,5-dibromoterephthalate |
EINECS | 241-919-9 |
CAS No. | 18014-00-1 | Density | 1.781 g/cm3 |
PSA | 52.60000 | LogP | 2.78480 |
Solubility | N/A | Melting Point |
148.6 °C |
Formula | C10H8Br2O4 | Boiling Point | 362.025 °C at 760 mmHg |
Molecular Weight | 351.979 | Flash Point | 172.747 °C |
Transport Information | N/A | Appearance | white powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Benzenedicarboxylicacid, 2,5-dibromo-, dimethyl ester (9CI);Terephthalic acid, 2,5-dibromo-,dimethyl ester (6CI,7CI,8CI);1,4-Benzenedicarboxylicacid, 2,5-dibromo-, 1,4-dimethyl ester; |
Article Data | 13 |
Dimethyl 2,5-dibromoterephthalate is an organic compound with the formula C10H8Br2O4, and its systematic name is the same with the product name. With the CAS registry number 18014-00-1, it is also named as 1,4-Benzenedicarboxylicacid, 2,5-dibromo-, 1,4-dimethyl ester. It belongs to the product category of Derivatives of phthalic acid. Its EINECS number is 241-919-9. In addition, the molecular weight is 351.98.
Physical properties of Dimethyl 2,5-dibromoterephthalate are: (1)ACD/LogP: 2.737; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.80; (6)ACD/BCF (pH 7.4): 70.80; (7)ACD/KOC (pH 5.5): 734.27; (8)ACD/KOC (pH 7.4): 734.27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 65.18 cm3; (15)Molar Volume: 197.588 cm3; (16)Polarizability: 25.839×10-24cm3; (17)Surface Tension: 47.22 dyne/cm; (18)Density: 1.781 g/cm3; (19)Flash Point: 172.747 °C; (20)Enthalpy of Vaporization: 60.792 kJ/mol; (21)Boiling Point: 362.025 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(Br)c(cc1Br)C(=O)OC
(2)Std. InChI: InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3
(3)Std. InChIKey: QXAFZEQRMJNPLY-UHFFFAOYSA-N