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CAS No.: | 19416-70-7 |
---|---|
Name: | Ammonium 4-nitrobenzoate dihydrate |
Molecular Structure: | |
Formula: | C7H8N2O4.2(H2O) |
Molecular Weight: | 184.152 |
Synonyms: | Benzoicacid, 4-nitro-, ammonium salt (9CI);Benzoic acid, p-nitro-, ammonium salt(8CI);Ammonium 4-nitrobenzoate;Ammonium p-nitrobenzoate; |
Boiling Point: | 411.3oC at 760 mmHg |
Flash Point: | 202.6oC |
PSA: | 86.36000 |
LogP: | 2.14010 |
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The Ammonium 4-nitrobenzoate dihydrate is an organic compound with the formula C7H8N2O4.2(H2O). The systematic name of this chemical is benzoic acid, 4-nitro-, ammonium salt, hydrate (1:2). With the CAS registry number 19416-70-7, it is also named as Ammonium 4-nitrobenzoate hydrate (1:1:2). The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(=O)[O-])[N+](=O)[O-].[NH4+].O.O
(2)InChI: InChI=1/C7H5NO4.H3N.2H2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;;;/h1-4H,(H,9,10);1H3;2*1H2
(3)InChIKey: FRAODYKUTZKECF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H5NO4.H3N.2H2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;;;/h1-4H,(H,9,10);1H3;2*1H2
(5)Std. InChIKey: FRAODYKUTZKECF-UHFFFAOYSA-N