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CAS No.: | 6968-28-1 |
---|---|
Name: | 4-Bromophthalic acid |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C8H5 Br O4 |
Molecular Weight: | 245.029 |
Synonyms: | Phthalicacid, 4-bromo- (6CI,8CI); 4-Bromo-1,2-benzenedicarboxylic acid; 4-Bromophthalicacid; NSC 20682 |
EINECS: | 230-183-4 |
Density: | 1.8281 (rough estimate) |
Melting Point: | 162-164°C |
Boiling Point: | 412.4oC at 760 mmHg |
Flash Point: | 203.2oC |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | R36/37/38; |
Safety: | 26-36 |
PSA: | 74.60000 |
LogP: | 1.84550 |
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IUPAC Name: 4-Bromophthalic acid
Synonyms of 4-Bromophthalic acid (CAS NO.6968-28-1): 4-Bromobenzene-1,2-dicarboxylic acid ; 1,2-Benzenedicarboxylicacid, 4-bromo-
CAS NO: 6968-28-1
Molecular Formula: C8H5BrO4
Molecular Weight: 245.03
Molecular Structure:
EINECS: 230-183-4
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 52.6 Å2
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: 203.2 °C
Enthalpy of Vaporization: 70.11 kJ/mol
Boiling Point: 412.4 °C at 760 mmHg
Vapour Pressure: 1.54E-07 mmHg at 25°C
Melting Point: 162-164°C
SMILES: O=C(O)c1c(cc(Br)cc1)C(=O)O
SMILES: O=C(O)c1c(cc(Br)cc1)C(=O)O
InChI: InChI=1/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: AZXKGUVDIORSED-UHFFFAOYAF
Std. InChI: InChI=1S/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
Std. InChIKey: AZXKGUVDIORSED-UHFFFAOYSA-N
Product Categories of 4-Bromophthalic acid (CAS NO.6968-28-1): Phthalic Acids, Esters and Derivatives
Risk Statements: 36/37/38
R36/37/38: 4-Bromophthalic acid (CAS NO.6968-28-1) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.