Guanidine,N-[(2-chlorophenyl)methyl]- supplier

Name
N-(2-CHLORO-BENZYL)-GUANIDINE
EINECS
CAS No. 4406-27-3
Article Data2
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₂O₅S
Boiling Point 544.4 °C at 760 mmHg
Molecular Weight 183.64
Flash Point 283.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Guanidine,(o-chlorobenzyl)- (7CI,8CI);Guanidine, [(2-chlorophenyl)methyl]- (9CI);(2-Chlorobenzyl)guanidine;(o-Chlorobenzyl)guanidine;
PSA 61.90000
LogP 2.51400

Guanidine,N-[(2-chlorophenyl)methyl]- Specification

The Guanidine,N-[(2-chlorophenyl)methyl]-, with the CAS registry number 4406-27-3, is also known as 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-4-[[(4-methylphenyl)sulfonyl]oxy]-6-phenyl-. This chemical's molecular formula is C₂₁H₂₂O₅S and molecular weight is 386.118795. Its systematic name is called 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-methylbenzenesulfonate.

Physical properties of Guanidine,N-[(2-chlorophenyl)methyl]-: (1)ACD/LogP: 4.81; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.6; (5)Molar Refractivity: 102.94 cm³; (6)Molar Volume: 300.5 cm³; (7)Surface Tension: 51.9 dyne/cm; (8)Density: 1.28 g/cm³; (9)Flash Point: 283.1 °C; (10)Enthalpy of Vaporization: 82.3 kJ/mol; (11)Boiling Point: 544.4 °C at 760 mmHg; (12)Vapour Pressure: 6.53E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O\C2=C(\C(=O)OC(c1ccccc1)C2(C)C)C)c3ccc(cc3)C
(2)InChI: InChI=1/C21H22O5S/c1-14-10-12-17(13-11-14)27(23,24)26-18-15(2)20(22)25-19(21(18,3)4)16-8-6-5-7-9-16/h5-13,19H,1-4H3
(3)InChIKey: NTTVAJUQHSLXOQ-UHFFFAOYAH

Product Name

N-(2-CHLORO-BENZYL)-GUANIDINE

Guanidine,N-[(2-chlorophenyl)methyl]- Specification

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