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23351-91-9

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Basic Information
CAS No.: 23351-91-9
Name: 5-BROMOISOPHTHALIC ACID
Article Data: 21
Molecular Structure:
Molecular Structure of 23351-91-9 (5-BROMOISOPHTHALIC ACID)
Formula: C8H5 Br O4
Molecular Weight: 245.029
Synonyms: Isophthalicacid, 5-bromo- (8CI); 5-Bromo-1,3-benzenedicarboxyic acid;5-Bromo-1,3-benzenedicarboxylic acid; 5-Bromoisophthalic acid
EINECS: 245-602-6
Density: 1.875g/cm3
Melting Point: 276-287 °C
Boiling Point: 452.1 °C at 760 mmHg
Flash Point: 227.2 °C
Solubility: Insoluble in water.
Appearance: white to almost white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 74.60000
LogP: 1.84550
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Chemistry

The Molecular Structure of 5-Bromoisophthalic acid (CAS NO.23351-91-9):

Empirical Formula: C8H5BrO4
Molecular Weight: 245.0269
Nominal Mass: 244 Da 
IUPAC Name: 5-bromobenzene-1,3-dicarboxylate
Appearance: white to almost white powder
Average Mass: 245.0269 Da
Monoisotopic Mass: 243.937114 Da 
Index of Refraction: 1.652
Molar Refractivity: 47.8 cm3
Molar Volume: 130.6 cm3
Surface Tension: 73 dyne/cm
Density: 1.875 g/cm3
Flash Point: 227.2 °C
Enthalpy of Vaporization: 74.96 kJ/mol
Boiling Point: 452.1 °C at 760 mmHg
Vapour Pressure: 5.8E-09 mmHg at 25°C 
InChI
InChI=1/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
Smiles
O=C(O)c1cc(cc(C(O)=O)c1)Br
Synonyms: 5-Bromoisophthalic acid                                                          

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26 
S37/39: Wear suitable gloves and eye/face protection
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice