42823-46-1
4-Guanidinobenzoic acid hydrochloride
CAS: 42823-46-1
Molecular Formula: C8H10ClN3O2
42823-46-1 - Names and Identifiers
| Name | 4-Guanidinobenzoic acid hydrochloride |
| Synonyms | TIMTEC-BB SBB003396 4-GUANIDINOBENZOIC ACID HCL 4-GUANIDINOBENZOIC ACID HCL CRYST 4-GUANIDOBENZOIC ACID HYDROCHLORIDE 4-GUANIDINOBENZOIC ACID HYDROCHLORIDE 4-Guanidinobenzoic acid hydrochloride N-(carboxypheny)guanidine hydrochloride N-(4-CARBOXYPHENYL)GUANIDINE HYDROCHLORIDE 4-[(diaminomethylidene)amino]benzoic acid hydrochloride |
| CAS | 42823-46-1 |
| EINECS | 255-956-3 |
| InChI | InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H |
| InChIKey | YETFLAUJROGBMC-UHFFFAOYSA-N |
42823-46-1 - Physico-chemical Properties
| Molecular Formula | C8H10ClN3O2 |
| Molar Mass | 215.64 |
| Melting Point | 285°C (dec.)(lit.) |
| Water Solubility | soluble |
| Solubility | DMSO,(Slightly) Methanol (Slightly), Water (Slightly) |
| Appearance | White powder |
| Color | White to Off-White |
| BRN | 3718032 |
| Storage Condition | 2-8°C |
| MDL | MFCD00040587 |
42823-46-1 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10 |
| HS Code | 29252000 |
42823-46-1 - Reference Information
| introduction | 4-guanidinobenzoic acid hydrochloride, also known as p-guanidinobenzoic acid hydrochloride, is an important intermediate for the synthesis of naphimolastat mesylate, a therapeutic drug for acute necrotizing pancreatitis. 4-guanidine benzoic acid hydrochloride has strong anti-fertility activity. It is an intermediate and can also synthesize some new contraceptives. |
| preparation method | p-thiourea benzoic acid, bromoethane and dry ethanol (anhydrous ethanol is treated with magnesium) are added into a three-mouth flask, stirred and heated, refluxed for 1 hour, solvent is distilled at normal pressure, concentrated ammonia water is added for heating after cooling, the solution is kept slightly boiling for 4 hours, and the heating is stopped when solid precipitation begins, let it cool and stand, precipitate a large amount of solid, filter, after the solid is washed with water, add dilute hydrochloric acid, ethanol, heat and reflux for 1 hour, add ether after cooling, precipitate precipitation, filter, and the obtained solid is washed with ether twice. The solid was recrystallized directly with ethanol water, and the resulting pure product was dried to constant weight to obtain white powder p-guanidinyl benzoic acid hydrochloride. |
Last Update：2024-04-09 02:00:08
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