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Name |
2,4-Dibromobenzoic acid |
EINECS | 210-245-7 |
CAS No. | 611-00-7 | Density | 2.083 g/cm3 |
PSA | 37.30000 | LogP | 2.90980 |
Solubility | N/A | Melting Point |
174 °C |
Formula | C7H4Br2O2 | Boiling Point | 336.555 °C at 760 mmHg |
Molecular Weight | 279.916 | Flash Point | 157.343 °C |
Transport Information | N/A | Appearance | phyllodes yellow powder or crystal |
Safety | 26-37 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2,4-Dibromobenzoicacid; |
Article Data | 22 |
The 2,4-Dibromobenzoic acid, with the CAS registry number 611-00-7, is also known as Benzoic acid, 2,4-dibromo-. It belongs to the product categories of Pharmaceutical Intermediates; Benzoic Acid; Acids & Esters; Bromine Compounds. Its EINECS registry number is 210-245-7. This chemical's molecular formula is C7H4Br2O2 and molecular weight is 279.91. What's more, its IUPAC name is the same with its product name. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It can be used as synthetic organic intermediates.
Physical properties about 2,4-Dibromobenzoic acid are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.23; (8)ACD/KOC (pH 7.4): 1.51; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 48.563 cm3; (15)Molar Volume: 134.332 cm3; (16)Polarizability: 19.252×10-24cm3; (17)Surface Tension: 57.800 dyne/cm; (18)Density: 2.084 g/cm3; (19)Flash Point: 157.343 °C; (20)Enthalpy of Vaporization: 61.188 kJ/mol; (21)Boiling Point: 336.555 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 2,4-Dibromobenzoic acid: this chemical can be prepared by 2,4-Diaminotoluene. This reaction via diazotization, bromination and oxidation.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(Br)cc1Br
(2) InChI: InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
(3) InChIKey: NAGGYODWMPFKJQ-UHFFFAOYSA-N