- 4-Bromophthalic acid
- 4-Bromophthalic anhydride
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Cas Database |
| Name |
4-Bromophthalic acid |
EINECS | 230-183-4 |
| CAS No. | 6968-28-1 | Density | 1.8281 (rough estimate) |
| PSA | 74.60000 | LogP | 1.84550 |
| Solubility | N/A | Melting Point |
162-164°C |
| Formula | C8H5 Br O4 | Boiling Point | 412.4oC at 760 mmHg |
| Molecular Weight | 245.029 | Flash Point | 203.2oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | R36/37/38; |
| Molecular Structure |
|
Hazard Symbols | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Synonyms |
Phthalicacid, 4-bromo- (6CI,8CI); 4-Bromo-1,2-benzenedicarboxylic acid; 4-Bromophthalicacid; NSC 20682 |
Article Data | 38 |
4-Bromophthalic acid Chemical Properties
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
4-Bromophthalic acid Safety Profile
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.
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