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| CAS No.: | 618-94-0 |
|---|---|
| Name: | 3-Nitrobenzhydrazide |
| Article Data: | 75 |
| Molecular Structure: | |
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| Formula: | C7H7N3O3 |
| Molecular Weight: | 181.151 |
| Synonyms: | Benzoicacid, m-nitro-, hydrazide (6CI,7CI,8CI);3-Nitrobenzhydrazide;3-Nitrobenzohydrazide;3-Nitrobenzoic acid hydrazide;3-Nitrobenzoyl hydrazide;3-Nitrobenzoylhydrazine;INHd 20;NSC 123864;NSC 3558;m-Nitrobenzhydrazide;m-Nitrobenzohydrazide;m-Nitrobenzoic acid hydrazide;m-Nitrobenzoic hydrazide;m-Nitrobenzoylhydrazide;m-Nitrobenzoylhydrazine; |
| EINECS: | 210-572-5 |
| Density: | 1.406 g/cm3 |
| Melting Point: | 153-154 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 100.94000 |
| LogP: | 1.81270 |
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| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol for 4h; Reflux; | 96% |
| With hydrazine hydrate In ethanol at 85℃; for 4h; | 96.2% |
| With hydrazine hydrate In ethanol for 0.2h; Reflux; Microwave irradiation; | 95% |
| Conditions | Yield |
|---|---|
| With acetic acid; acetic acid hydrazide for 0.1h; Microwave irradiation; | 93% |
| Stage #1: 3-nitrobenzoic acid With sulfuric acid In ethanol for 6h; Reflux; Stage #2: With hydrazine hydrate; sodium hydrogencarbonate; acetic acid Reflux; | 86% |
| Stage #1: 3-nitrobenzoic acid With potassium carbonate; dimethyl sulfate In acetonitrile at 50℃; Stage #2: With hydrazine hydrate In methanol at 70℃; | 83.02% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol; water Reflux; | 86% |
| With ethanol; hydrazine hydrate | |
| With hydrazine hydrate In ethanol for 5h; Heating; | 90 % Turnov. |
| Conditions | Yield |
|---|---|
| In ethanol for 1h; Heating; | 86% |
- 132771-14-3
1-methyl-4-nitro-5-(3-nitrobenzoyl)pyrazole
A
- 3994-50-1
1-methyl-4-nitropyrazole
B
- 618-94-0
3-nitrobenzoic acid hydrazide
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 40℃; for 0.5h; | A 83% B 78% |
| With hydrazine hydrate In ethanol at 40℃; for 0.5h; other substrate; | A 83% B 78% |
- 618-94-0
3-nitrobenzoic acid hydrazide
| Conditions | Yield |
|---|---|
| With hydrazine In dichloromethane at 20℃; for 36h; | 71% |
A
- 15420-54-9
2,6-dimethyl-3,5-pyridinedicarboxylic acid dihydrazide
B
- 618-94-0
3-nitrobenzoic acid hydrazide
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol for 5h; Heating; | A n/a B 52% |
A
- 15420-54-9
2,6-dimethyl-3,5-pyridinedicarboxylic acid dihydrazide
B
- 618-94-0
3-nitrobenzoic acid hydrazide
| Conditions | Yield |
|---|---|
| With hydrazine hydrate Heating; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetonitrile / 1 h / Heating 2: hydrazine hydrate / Heating View Scheme | |
| With hydrazine hydrate In methanol for 0.5h; Reflux; |
- 61652-82-2
1-imidazolyl(3-nitrophenyl)methanone
- 618-94-0
3-nitrobenzoic acid hydrazide
| Conditions | Yield |
|---|---|
| With hydrazine hydrate for 0.0166667h; Sonication; |
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Specification
The Benzoic acid, 3-nitro-, hydrazide, with the CAS registry number of 618-94-0, is also known as 3-Nitro-benzoicacihydrazide and Benzoic acid, m-nitro-, hydrazide. It belongs to the product category of Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. Its EINECS registry number is 210-572-5. This chemical's molecular formula is C7H7N3O3 and molecular weight is 181.15. What's more, its IUPAC name is 3-Nitrobenzohydrazide. In addition, it should be stored in airtight place. Meanwhile, it should avoid contact with oxidant.
Physical properties about Benzoic acid, 3-nitro-, hydrazide are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.34; (8)ACD/KOC (pH 7.4): 33.4; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 69.37 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 45.32 cm3; (15)Molar Volume: 128.7 cm3; (16)Polarizability: 17.96×10-24 cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.406 g/cm3; (19)Melting Point: 153-154 °C.
Preparation: this chemical is prepared by 1-Methyl-4-nitro-5-(3-nitrobenzoyl)pyrazole. The reaction needs reagent N2H4•H2O and solvent Ethanol. The reaction time is 0.5 hour with reaction temperature of 40 °C. The yield is about 78 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 3-Nitro-benzoic acid (2-amino-pyridin-3-ylmethylene)-hydrazide at heating. This reaction needs reagent Glacial acetic acid and solvent Ethanol. The reaction time is 3 hours. The yield is about 63 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(C(=O)NN)ccc1
(2) InChI: InChI=1/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
(3) InChIKey: NQEWXLVDAVTOHM-UHFFFAOYAF