Benzenesulfonamide,4-methyl-N-(phenylmethyl)- supplier

Name
N-Benzyl-p-toluenesulfonamide
EINECS
CAS No. 1576-37-0
Article Data263
CAS DataBase
Density 1.204 g/cm³
Solubility
Melting Point 115 °C
Formula C₁₄H₁₅NO₂S
Boiling Point 419.1 °C at 760 mmHg
Molecular Weight 261.345
Flash Point 207.3 °C
Transport Information
Appearance White crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzyl-p-toluenesulfonamide;1576-37-0;N-Tosylbenzylamine;N-Benzyl-4-methylbenzenesulfonamide;N-Benzyl-4-methyl-benzenesulfonamide;N-Benzyl-p-toluenesulphonamide;p-Toluenesulfonamide, N-benzyl-;N-benzyl-4-methylbenzene-1-sulfonamide;Benzenesulfonamide, 4-methyl-N-(phenylmethyl)-;BRN 2217277;4-Methyl-N-(phenylmethyl)benzenesulfonamide;AI3-30867;N-Benzyl-p-toluene sulphonamide;CHEMBL1332361;MFCD00159328;3-12-00-02328 (Beilstein Handbook Reference);4-Methyl-N-(Phenylmethyl)-Benzenesulfonamid;NSC37123;NSC 37123;Tocris-1870;Probes1_000098;Probes2_000056;Cambridge id 5116373;TimTec1_000144;Oprea1_691087;Oprea1_824524;CBDivE_002319;MLS001209249;n-benzyl-p-toluenesulfonarnide;SCHEMBL198318;DTXSID40166290;CHEBI:114205;HMS1534G12;HMS2833D03;HMS3268M08;HMS3412L18;HMS3676L18;BDBM50046167;NSC-37123;AKOS000506046;N-Benzyl-4-methylbenzenesulfonamide #;ANGC-1576-37-0;CS-3222;NCGC00025316-01;NCGC00025316-02;NCGC00025316-03;AS-15817;HY-16690;SMR000504783;SY053403;LS-154104;B3082;FT-0663056;EN300-15765;D70200;A883488;SR-01000597548;J-009430;SR-01000597548-1;BRD-K64178227-001-01-7;BRD-K64178227-001-04-1;Q27195409;Z45508789
PSA 54.55000
LogP 3.94520

Benzenesulfonamide,4-methyl-N-(phenylmethyl)- Specification

The Benzenesulfonamide,4-methyl-N-(phenylmethyl)-, with the CAS registry number 1576-37-0, is also known as N-Benzyl-p-toluenesulfonamide. It belongs to the product categories of Inhibitors; Atpase. This chemical's molecular formula is C₁₄H₁₅NO₂S and molecular weight is 261.34. Its IUPAC name is called N-benzyl-4-methylbenzenesulfonamide.

Physical properties of Benzenesulfonamide,4-methyl-N-(phenylmethyl)-: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 161.74; (5)ACD/BCF (pH 7.4): 161.73; (6)ACD/KOC (pH 5.5): 1326.42; (7)ACD/KOC (pH 7.4): 1326.33; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 73.18 cm³; (13)Molar Volume: 217 cm³; (14)Surface Tension: 45.5 dyne/cm; (15)Density: 1.204 g/cm³; (16)Flash Point: 207.3 °C; (17)Enthalpy of Vaporization: 67.27 kJ/mol; (18)Boiling Point: 419.1 °C at 760 mmHg; (19)Vapour Pressure: 3.12E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by toluene-4-sulfonyl chloride and benzylamine. This reaction will need solvent triethylamine and CH₂Cl₂. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 88%.

Uses of Benzenesulfonamide,4-methyl-N-(phenylmethyl)-: it can be used to produce N-benzyl-N-nitroso-toluene-4-sulfonamide. This reaction will need reagent acetic acid and NaNO₂.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
(2)InChI: InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
(3)InChIKey: WTHKAJZQYNKTCJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 41, 1953.

Product Name

N-Benzyl-p-toluenesulfonamide

Benzenesulfonamide,4-methyl-N-(phenylmethyl)- Specification

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