4-Hydrazinobenzoic acid hydrochloride CAS#: 24589-77-3; 凯望编码 (ChemWhat Code): 25290
Identification
| 英文名 | 4-Hydrazinobenzoic acid hydrochloride |
| IUPAC Name | 4-hydrazinylbenzoic acid;hydrochloride |
| 分子结构 |  |
| CAS编号 | 24589-77-3 |
| EINECS Number | 246-330-0 |
| MDL Number | MFCD00039073 |
| Beilstein Registry Number | No data available |
| 别名 | 4-hydrazinobenzoic acid hydrochloride4-hydrazinylbenzoic acid hydrochloride4-carboxyphenylhydrazine hydrochloridep-hydrazinobenzoic acid hydrochloride |
| 分子式 | C7H9ClN2O2 |
| 分子量 | 188.61 |
| InChI | InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H |
| InChI Key | XHLQMKQBCHYRLC-UHFFFAOYSA-N |
| Canonical SMILES | c1cc(ccc1C(=O)O)NN.Cl |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2021/13712 | POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES | 2021 |
| EP4029501 | COMBINATION OF POLYAROMATIC UREA DERIVATIVES AND GLUCOCORTICOID OR HDAC INHIBITOR FOR THE TREATMENT OF DISEASES OR CONDITIONS ASSOCIATED WITH MUSCLE CELLS AND/OR SATELLITE CELLS | 2022 |
| US2016/45512 | Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection | 2016 |
Physical Data
| Appearance | White solid |
| Solubility | Soluble in water. |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) | Comment (Melting Point) |
| 245 | with decomposition | |
| 248 | Decomposition. | |
| 252 – 253 | aq. HCl | Decomposition. |
| Measurement Temperature, °C | Type (Density) |
| -173.16 | crystallographic |
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Description (Mass Spectrometry) |
| liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| Stage #1: 4-amino-benzoic acid With magnesium nitrite In water at 2℃; Acidic conditions; Flow reactor; Stage #2: With sodium sulfite In water at 99 – 120℃; Stage #3: With hydrogenchloride In water at 120℃; | 95% |
| Stage #1: 4-amino-benzoic acid With hydrogenchloride; sodium nitrite In water at 0℃; Stage #2: With sulfuric acid In water at 0 – 5℃; for 12h; | 91% |
| Stage #1: 4-amino-benzoic acid With hydrogenchloride; sodium nitrite In water at 0℃; for 0.5h; Stage #2: With hydrogenchloride; tin(ll) chloride In water at 0℃; for 0.5h; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Store in dry, in container tightly sealed; Protect from light. |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 188.614 |
| logP | 0.903 |
| HBA | 4 |
| HBD | 3 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 75.35 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 4-Hydrazinobenzoic acid hydrochloride CAS#: 24589-77-3 is used as the Pharmaceutical Intermediates. |
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认证生产商 | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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