2-AMINO-4-IODOBENZOIC ACID
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2-AMINO-4-IODOBENZOIC ACID
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CAS No:
20776-54-9
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Formula:
C7H6INO2
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Chemical Name:
2-AMINO-4-IODOBENZOIC ACID
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Synonyms:
2-Amino-4-iodobenzoic acid;2-amino-4-iodo-benzoic acid;Benzoic acid, 2-amino-4-iodo-;MFCD09800365;PubChem22552;4-iodo anthranilic acid;SCHEMBL164836;2-azanyl-4-iodanyl-benzoic acid;CTK4E5073;DTXSID10627823
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CAS No:
Characteristics
63.3
2.1
2.1±0.1 g/cm3
208 °C (decomp)(Solv: ethanol (64-17-5))
377°C at 760 mmHg
181.8±26.5 °C
1.728
0mmHg at 25°C
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-AMINO-4-IODOBENZOIC ACID Use and Manufacturing
B. 2-Amino-4-iodo-benzoic acid. ; 4-lodo-2-nitro-benzoic acid (20 g, 68 mmol, 1.0 equiv.) was dissolved in 200 mL of EtOAc and then SnClB. 2-Amino-4-iodo-benzoic acid. ; 4-lodo-2-nitro-benzoic acid (20 g, 68 mmol, 1.0 equiv.) was dissolved in 200 mL of EtOAc and then SnClGeneral procedure: To a solution of compound 4 (1.0 mmol) and various substituted anthranilic acid (1.0 mmol) in DMF (5 ml) were added DIEA (2.0 mmol) and PyBOP (1.1 mmol). The mixture was stirred continuously for 2 h at room temperature. The reaction was monitored by TLC. After the reaction was finished, the mixture was poured into ice water, and then extracted with ethyl acetate (3 × 20 ml). The organic phases were combined, washed with saturated aqueous sodium chloride solution (2 × 30 ml), dried over anhydrous Na2SO4 and evaporated under reduced pressure to get crude compound 5a-z. The crude products were directly proceeded to the next step.
Computed Properties
Molecular Weight:263.03
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:262.94433
Monoisotopic Mass:262.94433
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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