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60858-95-9

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Basic Information
CAS No.: 60858-95-9
Name: DIAZALD(R)-N-METHYL-13C
Article Data: 2
Molecular Structure:
Molecular Structure of 60858-95-9 (DIAZALD(R)-N-METHYL-13C)
Formula: C713CH10N2O3S
Molecular Weight: 215.23
Synonyms: DIAZALD(R)-N-METHYL-13C;Diazald-N-methyl-13C;N-METHYL-13C-N-NITROSO-P-TOLUENESULFONAMIDE;N-METHYL-N-NITROSO-P-TOLUENESULFONAMIDE (N-METHYL-13C);DIAZALD-N-METHYL-13C, 99 ATOM % 13C;N-methyl-C13-N-nitroso-p-toluenesulfonamide
Density: 1.3 g/cm3
Melting Point: 61-62 °C(lit.)
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 20/21/22-43
Safety: 26-36
Transport Information: 2811
PSA: 75.19000
LogP: 2.37770
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Specification

This chemical is called Diazald-N-methyl-13C, and its systematic name is 4-methyl-N-(13C)methyl-N-nitrosobenzenesulfonamide. With the molecular formula of C713CH10N2O3S, its molecular weight is 215.23. The CAS registry number of this chemical is 60858-95-9.

Other characteristics of the Diazald-N-methyl-13C can be summarised as followings: (1)Index of Refraction: 1.572; (2)Molar Refractivity: 54.1 cm3; (3)Molar Volume: 164.2 cm3; (4)Polarizability: 21.44×10-24cm3; (5)Surface Tension: 48.8 dyne/cm; (6)Density: 1.3 g/cm3.

Production method of this chemical: The Diazald-N-methyl-13C could be obtained the reactant of N-[13C]methyl-p-toluenesulfonamide, the reagents of NaNO2, acetic acid , and the solvent of H2O. The yield is 99 %. In addition, this reaction should be taken for 20 minutes, and the other condition is cooling.

When you are using this chemical, please be cautious about it as the following: This chemcial is harmful by inhalation, in contact with skin and if swallowed. It may cause sensitization by skin contact. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1)S(=O)(=O)N(C)N=O
2.InChI: InChI=1/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3/i2+1
3.InChIKey: FFKZOUIEAHOBHW-VQEHIDDOEP
4.Std. InChI: InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3/i2+1
5.Std. InChIKey: FFKZOUIEAHOBHW-VQEHIDDOSA-N