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| Name |
4-Amidinophenylmethanesulfonyl fluoride hydrochloride |
EINECS | N/A |
| CAS No. | 74938-88-8 | Density | N/A |
| PSA | 92.39000 | LogP | 3.45280 |
| Solubility | H2O: 50 mM | Melting Point |
~205 °C (dec.) |
| Formula | C8H9FN2O2S.HCl | Boiling Point | 405.2 °C at 760 mmHg |
| Molecular Weight | 252.697 | Flash Point | 198.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25-36-26 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Benzenemethanesulfonylfluoride, 4-(aminoiminomethyl)-, monohydrochloride (9CI);p-Amidinophenylmethanesulfonyl fluoride hydrochloride;4-Amidinophenylmethanesulfonyl fluoride hydrochloride; |
4-Amidinophenylmethanesulfonyl fluoride hydrochloride 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:
(1)SMILES: Cl.O=S(F)(=O)Cc1ccc(cc1)C(N)=N
(2)InChI: InChI=1/C8H9FN2O2S.ClH/c9-14(12,13)5-6-1-3-7(4-2-6)8(10)11;/h1-4H,5H2,(H3,10,11);1H
(3)InChIKey: KHLLRHIUKOJXLL-UHFFFAOYAU
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