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1,2-Benzenedicarboxylicacid, 4-bromo-, 1,2-dimethyl ester (87639-57-4)

Identification
Name:1,2-Benzenedicarboxylicacid, 4-bromo-, 1,2-dimethyl ester
Synonyms:1,2-Benzenedicarboxylicacid, 4-bromo-, dimethyl ester (9CI);4-Bromophthalic acid dimethyl ester;Dimethyl4-bromo-1,2-benzenedicarboxylate;Dimethyl 4-bromophthalate;
CAS:87639-57-4
Molecular Formula: C10H9BrO4
Molecular Weight: 273.08
InChI: InChI=1/C10H9BrO4/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5H,1-2H3
Molecular Structure: (C10H9BrO4) 1,2-Benzenedicarboxylicacid, 4-bromo-, dimethyl ester (9CI);4-Bromophthalic acid dimethyl ester;Dime...
Properties
Density:1.505g/cm3
Refractive index:1.546
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.

Safety Data
 

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