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
Hazard Codes: Xi
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
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