Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl- supplier

Name
N,N-BIS(2-HYDROXYETHYL)-P-TOLUENESULFONAMIDE
EINECS 230-455-2
CAS No. 7146-67-0
Article Data21
CAS DataBase
Density 1.301g/cm³
Solubility
Melting Point 94-100 °C
Formula C₁₁H₁₇NO₄S
Boiling Point 452.4 °C at 760 mmHg
Molecular Weight 259.326
Flash Point 227.4 °C
Transport Information
Appearance white to off-white crystalline powder or chunks
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms p-Toluenesulfonamide,N,N-bis(2-hydroxyethyl)- (6CI,7CI,8CI);(p-Tolylsulfonyl)diethanolamine;N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide;N,N-Bis(2-hydroxyethyl)-p-toluenesulfonamide;NSC 23811;NSC 46865;
PSA 86.22000
LogP 1.05110

Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl- Specification

The Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-, with CAS registry number 7146-67-0, has the systematic name of N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide. This chemical is a kind of white to off-white crystalline powder or chunks. This chemical is harmful if swallowed. And the chemical formula of this chemical is C₁₁H₁₇NO₄S. What's more, its EINECS is 230-455-2.

Physical properties of Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.49; (6)ACD/BCF (pH 7.4): 3.49; (7)ACD/KOC (pH 5.5): 85.21; (8)ACD/KOC (pH 7.4): 85.21; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 65.66 cm³; (15)Molar Volume: 199.2 cm³; (16)Polarizability: 26.03×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.301 g/cm³; (19)Flash Point: 227.4 °C; (20)Enthalpy of Vaporization: 74.98 kJ/mol; (21)Boiling Point: 452.4 °C at 760 mmHg; (22)Vapour Pressure: 5.69E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2'-azanediyl-bis-ethanol and toluene-4-sulfonyl chloride. This reaction will need reagent aqueous sodium carbonate.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)N(CCO)CCO
(2)InChI: InChI=1/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(3)InChIKey: NHFJDXPINIIUQG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
(5)Std. InChIKey: NHFJDXPINIIUQG-UHFFFAOYSA-N

Product Name

N,N-BIS(2-HYDROXYETHYL)-P-TOLUENESULFONAMIDE

Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl- Specification

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