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51760-21-5

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Basic Information
CAS No.: 51760-21-5
Name: DIMETHYL 5-BROMOISOPHTHALATE
Article Data: 26
Molecular Structure:
Molecular Structure of 51760-21-5 (DIMETHYL 5-BROMOISOPHTHALATE)
Formula: C10H9 Br O4
Molecular Weight: 273.083
Synonyms: 1,3-Benzenedicarboxylicacid, 5-bromo-, dimethyl ester (9CI); 5-Bromoisophthalic acid dimethyl ester;Dimethyl 3-bromoisophthalate; Dimethyl 5-bromo-1,3-benzenedicarboxylate;Dimethyl 5-bromoisophthalate
EINECS: 257-386-0
Density: 1.505g/cm3
Melting Point: 85-89 °C
Boiling Point: 150 °C
Flash Point: 146.8°C
Solubility: Insoluble in water.
Hazard Symbols: T,Xi
Risk Codes: R25
Safety: 2375428
PSA: 52.60000
LogP: 2.02230
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Chemistry

The Molecular Structure of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester (CAS NO.51760-21-5):

Empirical Formula: C10H9BrO4
Molecular Weight: 273.0801 
IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate
Appearance:
Nominal Mass: 272 Da
Average Mass: 273.0801 Da
Monoisotopic Mass: 271.968414 Da 
Index of Refraction: 1.546
Molar Refractivity: 57.48 cm3
Molar Volume: 181.4 cm3
Surface Tension: 44 dyne/cm
Density: 1.505 g/cm3
Flash Point: 146.8 °C
Enthalpy of Vaporization: 56.06 kJ/mol
Boiling Point: 319.1 °C at 760 mmHg
Vapour Pressure: 0.000347 mmHg at 25°C 
InChI
InChI=1/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3 
Smiles
O=C(OC)c1cc(cc(C(=O)OC)c1)Br

Safety Profile

Hazard Codes: ToxicTIrritantXi
Risk Statements: 25 
R25 : Toxic if swallowed
Safety Statements: 45 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: irritant

Specification

 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester (CAS NO.51760-21-5) is also called as 5-Bromoisophthalic acid, dimethyl ester ; Dimethyl 5-bromoisophthalate ; 1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester .