2,5-Dibromo-1,4-benzenedicarboxylic acid
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2,5-Dibromo-1,4-benzenedicarboxylic acid
structure -
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CAS No:
13731-82-3
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Formula:
C8H4Br2O4
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Chemical Name:
2,5-Dibromo-1,4-benzenedicarboxylic acid
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Synonyms:
1,4-Benzenedicarboxylic acid,2,5-dibromo-;Terephthalic acid,2,5-dibromo-;2,5-Dibromo-1,4-benzenedicarboxylic acid;2,5-Dibromoterephthalic acid;NSC 115430;2,5-Dibromo-4-carboxybenzoic acid;1,4-Dibromo-2,5-benzenedicarboxylic acid;2,5-Dibromotetrephthalic acid
- Categories:
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CAS No:
2,5-Dibromo-1,4-benzenedicarboxylic acid Basic Attributes
323.92
323.92
237-300-8
63JN659KM5
115430
DTXSID4065600
2915900090
Characteristics
74.6
2.4
2.205±0.06 g/cm3(Predicted)
313 °C
445.0±45.0 °C(Predicted)
222.9±28.7 °C
1.680
Room temperature.
1.06E-08mmHg at 25°C
Safety Information
36/37/38
26-37/39-36
C,Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,5-Dibromo-1,4-benzenedicarboxylic acid Use and Manufacturing
The inventive diindenothiophene derivatives can be produced by any of the methods that are conventionally known to persons having ordinary skill in the art. For instance, the above-mentioned compound of formula (2) can be prepared by a method comprising the following steps:This example illustrates the production of 2, 5- dibromoterephthalic acid from 2 , 5-dibromo-l , 4- dimethylbenzene .In a stirred autoclave with internal cooling coil and reflux condenser, 2 , 5-dibromo-l , 4 -dimethylbenzene (372 mmol) was combined with a solution containing Co(OAc)Iodine (78 mg, 0.33 mmol) was added to p-xylene (6.13 mL, 50.0 mmol), the mixture was cooled to 0 °C, and bromine (5.20 mL, 101 mmol) was added dropwise over 10 min. The ice bath was removed and the reaction stirred at rt for 16 h in the absence of light. The reaction was quenched with 20percent aq. KOH and stirred for 15 min while the solution became colorless. The solid precipitate was filtered and rinsed 2 x with 100 mL of H
1,4-Benzenedicarboxylic acid, 2,5-dibromo-: INACTIVE
Computed Properties
Molecular Weight:323.92
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:323.84558
Monoisotopic Mass:321.84763
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-Dibromo-1,4-benzenedicarboxylic acid
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