Dimethyl 2,5-dibromoterephthalate supplier

Name
Dimethyl 2,5-dibromoterephthalate
EINECS 241-919-9
CAS No. 18014-00-1
Article Data13
CAS DataBase
Density 1.781 g/cm³
Solubility
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
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 52.60000
LogP 2.78480

Dimethyl 2,5-dibromoterephthalate Specification

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

Product Name

Dimethyl 2,5-dibromoterephthalate

Dimethyl 2,5-dibromoterephthalate Specification

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