4-Amidinophenylmethanesulfonyl fluoride hydrochloride supplier

Name
4-Amidinophenylmethanesulfonyl fluoride hydrochloride
EINECS
CAS No. 74938-88-8
Density
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
Appearance
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;
PSA 92.39000
LogP 3.45280

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

Product Name

4-Amidinophenylmethanesulfonyl fluoride hydrochloride

4-Amidinophenylmethanesulfonyl fluoride hydrochloride Specification

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