| Identification | |
| Name: | Benzenemethanesulfonylfluoride, 4-(aminoiminomethyl)-, hydrochloride (1:1) |
| Synonyms: | Benzenemethanesulfonylfluoride, 4-(aminoiminomethyl)-, monohydrochloride (9CI); APMSF;p-Amidinophenylmethanesulfonyl fluoride hydrochloride |
| CAS: | 74938-88-8 |
| Molecular Formula: | C8H9 F N2 O2 S . Cl H |
| Molecular Weight: | 252.693603 |
| InChI: | InChI=1S/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | ~205 °C (dec.) |
| Flash Point: | 198.8°C |
| Boiling Point: | 405.2°C at 760 mmHg |
| Water Solubility: | H2O: 50 mM |
| Solubility: | H2O: 50 mM |
| Specification: |
The 4-Amidinophenylmethanesulfonyl fluoride hydrochloride with the CAS number 74938-88-8 is also called Benzenemethanesulfonylfluoride, 4-(aminoiminomethyl)-, hydrochloride (1:1). Both the systematic name and IUPAC name are (4-carbamimidoylphenyl)methanesulfonyl fluoride hydrochloride. Its molecular formula is C8H9FN2O2S.HCl. The properties of the chemical are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 92.39 Å2; (11)Enthalpy of Vaporization: 66.95 kJ/mol; (12)Vapour Pressure: 5.85×10-7 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 198.8°C |
| Storage Temperature: | −20°C |
| Safety Data | |
 |
|
