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Dimethyl 4-bromophthalate

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Name

Dimethyl 4-bromophthalate

EINECS N/A
CAS No. 87639-57-4 Density 1.505g/cm3
PSA 52.60000 LogP 2.02230
Solubility N/A Melting Point 33-35 °C
Formula C10H9BrO4 Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 273.083 Flash Point 138.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 87639-57-4 (DIMETHYL 4-BROMOPHTHALATE) Hazard Symbols N/A
Synonyms

1,2-Benzenedicarboxylicacid, 4-bromo-, dimethyl ester (9CI);4-Bromophthalic acid dimethyl ester;Dimethyl4-bromo-1,2-benzenedicarboxylate;Dimethyl 4-bromophthalate;

Article Data 10

Dimethyl 4-bromophthalate Specification

The Dimethyl 4-bromophthalate with cas registry number of 87639-57-4, has the systematic name of dimethyl 4-bromobenzene-1,2-dicarboxylate. And it is also named dimethyl 4-bromophthalate.

Physical properties about this chemical are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 32.89; (6)ACD/BCF (pH 7.4): 32.89; (7)ACD/KOC (pH 5.5): 424.14; (8)ACD/KOC (pH 7.4): 424.14; (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: 1.546; (14)Molar Refractivity: 57.48 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 22.79×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 54.55 kJ/mol; (19)Vapour Pressure: 0.00084 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OC)c1c(cc(Br)cc1)C(=O)OC;
(2)InChI: InChI=1/C10H9BrO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3;
(3)InChIKey: AMNIKUDFXYWYSY-UHFFFAOYAT;
(4)Std. InChI: InChI=1S/C10H9BrO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3;
(5)Std. InChIKey: AMNIKUDFXYWYSY-UHFFFAOYSA-N.

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