Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- supplier

Name
N-(4-hydroxyphenyl)-N-methyl-methanesulfonamide
EINECS
CAS No. 3572-85-8
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO₃S
Boiling Point 370.9 °C at 760 mmHg
Molecular Weight 201.246
Flash Point 178.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Hydroxyphenyl)methyl(methylsulfonyl)amine;
PSA 65.99000
LogP 1.86880

Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- Specification

The Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl-, with the CAS registry number of 3572-85-8, is also known as (4-Hydroxyphenyl)methyl(methylsulfonyl)amine. Its molecular formula is C₈H₁₁NO₃S and molecular weight is 201.242840. What's more, its IUPAC name is N-(4-Hydroxyphenyl)-N-methylmethanesulfonamide. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.99 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 50.23 cm³; (9)Molar Volume: 146.8 cm³; (10)Surface Tension: 59.2 dyne/cm; (11)Density: 1.37 g/cm³; (12)Flash Point: 178.1 °C; (13)Enthalpy of Vaporization: 64.21 kJ/mol; (14)Boiling Point: 370.9 °C at 760 mmHg; (15)Vapour Pressure: 5.03E-06 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce N-Methyl-N-(4-oxiranylmethoxy-phenyl)-methanesulfonamide. This reaction needs reagent NaOH. The reaction time is 10 h. The yield is about 74 %.

The Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- can react with Chloromethyl-oxirane to get N-Methyl-N-(4-oxiranylmethoxy-phenyl)-methanesulfonamide

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N(c1ccc(O)cc1)C)C
(2) InChI: InChI=1/C8H11NO3S/c1-9(13(2,11)12)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
(3) InChIKey: UTJCBWGFCODDEI-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2gm/kg (2000mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 128, 1962.

Product Name

N-(4-hydroxyphenyl)-N-methyl-methanesulfonamide

Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- Specification

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