2,5-Dibromobenzoic acid
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2,5-Dibromobenzoic acid
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CAS No:
610-71-9
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Formula:
C7H4Br2O2
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Chemical Name:
2,5-Dibromobenzoic acid
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Synonyms:
Benzoic acid,2,5-dibromo-;2,5-Dibromobenzoic acid;NSC 190697
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CAS No:
2,5-Dibromobenzoic acid Basic Attributes
279.91
279.91
210-234-7
AL6IIX5WZY
190697
DTXSID30209862
2916399090
Characteristics
37.3
3.7
white to off white crystal powder
2.1±0.1 g/cm3
157 °C
344.6°C at 760 mmHg
162.2±25.1 °C
1.643
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
DG6290000
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,5-Dibromobenzoic acid Use and Manufacturing
First, sodium periodate solution was configured: 4.3 g (19.9 mmol) of sodium periodate was dissolved in 30 ml of water and 18 ml of acetic acid.Then, 10 g (49.7 mmol) of 2-bromobenzoic acid, 5.1 g (49.7 mmol) of sodium bromide, and sodium periodate solution were added to the reaction flask.Heat to 30°C and add 4.4 ml concentrated sulfuric acid slowly at this temperature.After completion of the dropwise addition of concentrated sulfuric acid, the temperature was raised to 50-65°C and reacted at this temperature for 2-3 hours.Thin layer chromatography (TLC) detection reaction is completed, cooled, poured into ice water, solid precipitated, filtered, The filter cake was washed with water several times to obtain 11.9 g of 2, 5-dibromobenzoic acid in a yield of 85.6percent.
Computed Properties
Molecular Weight:279.91
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:279.85576
Monoisotopic Mass:277.85780
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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