Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- supplier

Name
N-TERT-BUTYL-P-TOLUENESULFONAMIDE
EINECS
CAS No. 2849-81-2
Article Data61
CAS DataBase
Density 1.104 g/cm³
Solubility Soluble in water.
Melting Point 112-113 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Formula C₁₁H₁₇NO₂S
Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 227.327
Flash Point 152 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonamide,N-tert-butyl- (6CI,7CI,8CI);N-tert-Butyl-4-methylbenzenesulfonamide;N-tert-Butyl-p-toluenesulfonamide;NSC 59496;N-(tert-Butyl)-p-toluenesulfonamide;
PSA 54.55000
LogP 3.54350

Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- Specification

The Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl-, with the CAS registry number 2849-81-2, is also known as N-tert-Butyl-p-toluenesulfonamide. This chemical's molecular formula is C₁₁H₁₇NO₂S and formula weight is 227.32. What's more, its systematic name is N-tert-butyl-4-methylbenzenesulfonamide.

Physical properties of Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å²; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 62.37 cm³; (9)Molar Volume: 205.8 cm³; (10)Surface Tension: 36.5 dyne/cm; (11)Density: 1.104 g/cm³; (12)Flash Point: 152 °C; (13)Enthalpy of Vaporization: 57.01 kJ/mol; (14)Boiling Point: 327.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000198 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(C)(C)C
(2)InChI: InChI=1S/C11H17NO2S/c1-9-5-7-10(8-6-9)15(13,14)12-11(2,3)4/h5-8,12H,1-4H3
(3)InChIKey: NYEPSLKMENGNDO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04167.

Product Name

N-TERT-BUTYL-P-TOLUENESULFONAMIDE

Benzenesulfonamide,N-(1,1-dimethylethyl)-4-methyl- Specification

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