Methanesulfonamide,1-chloro-N-(phenylmethyl)- supplier

Name
N-benzyl-1-chloro-methanesulfonamide
EINECS
CAS No. 51822-98-1
Density 1.343 g/cm³
Solubility
Melting Point
Formula C₈H₁₀ClNO₂S
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 219.692
Flash Point 165.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-N-(phenylmethyl)methanesulfonamide;
PSA 54.55000
LogP 2.77400

Methanesulfonamide,1-chloro-N-(phenylmethyl)- Specification

The Methanesulfonamide,1-chloro-N-(phenylmethyl)-, with the CAS registry number of 51822-98-1, is also known as 1-Chloro-N-(phenylmethyl)methanesulfonamide. Its molecular formula is C₈H₁₀ClNO₂S and molecular weight is 219.6885. What's more, its IUPAC name is N-Benzyl-1-chloromethanesulfonamide.

Physical properties about the Methanesulfonamide,1-chloro-N-(phenylmethyl)- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.04; (6)ACD/BCF (pH 7.4): 4.02; (7)ACD/KOC (pH 5.5): 94.58; (8)ACD/KOC (pH 7.4): 94.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 53.31 cm³; (15)Molar Volume: 163.4 cm³; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.343 g/cm³; (18)Flash Point: 165.8 °C; (19)Enthalpy of Vaporization: 59.51 kJ/mol; (20)Boiling Point: 350.5 °C at 760 mmHg; (21)Vapour Pressure: 4.37E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCS(=O)(=O)NCc1ccccc1
(2) InChI: InChI=1/C8H10ClNO2S/c9-7-13(11,12)10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2
(3) InChIKey: PRTWZRAABOYCEZ-UHFFFAOYAU

Product Name

N-benzyl-1-chloro-methanesulfonamide

Methanesulfonamide,1-chloro-N-(phenylmethyl)- Specification

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