4-Hydrazinobenzoic acid hydrochloride CAS#: 24589-77-3; ChemWhat Code: 25290
Identification
Product Name | 4-Hydrazinobenzoic acid hydrochloride |
IUPAC Name | 4-hydrazinylbenzoic acid;hydrochloride |
Molecular Structure | |
CAS Registry Number | 24589-77-3 |
EINECS Number | 246-330-0 |
MDL Number | MFCD00039073 |
Beilstein Registry Number | No data available |
Synonyms | 4-hydrazinobenzoic acid hydrochloride4-hydrazinylbenzoic acid hydrochloride4-carboxyphenylhydrazine hydrochloridep-hydrazinobenzoic acid hydrochloride |
Molecular Formula | C7H9ClN2O2 |
Molecular Weight | 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 | |
Molecular Weight | 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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Approved Manufacturers | |
Caming Pharmaceutical Ltd | http://www.caming.com/ |
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