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Sulfamic acid,N-methyl-

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Name

Sulfamic acid,N-methyl-

EINECS 223-895-1
CAS No. 4112-03-2 Density 1.534 g/cm3
PSA 74.78000 LogP 0.48030
Solubility N/A Melting Point 191 °C
Formula CH5NO3S Boiling Point 256.7oC at 760mmHg
Molecular Weight 111.122 Flash Point 109.1oC
Transport Information UN 3261 8/PG 2 Appearance white crystal or crystalline powder
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 4112-03-2 (METHYLSULFAMIC ACID) Hazard Symbols CorrosiveC
Synonyms

Sulfamicacid, methyl- (6CI,7CI,8CI,9CI);Methylsulfamic acid;N-Methylsulfamic acid;NSC 54922;

Article Data 19

Sulfamic acid,N-methyl- Specification

The Sulfamic acid,N-methyl- with CAS registry number of 4112-03-2 is also known as N-Methylsulfamic acid. The IUPAC name is Methylsulfamic acid. It belongs to product categories of Sulfur Compounds; Synthetic Organic Chemistry; Organic Building Blocks; Sulfonic/Sulfinic Acids. Its EINECS registry number is 223-895-1. In addition, the formula is CH5NO3S and the molecular weight is 111.12. This chemical is a white crystal or crystalline powder. What's more, it's stable at room temperature and normal presure and should be sealed at dry place away from light.

Physical properties about Sulfamic acid,N-methyl- are: (1)ACD/LogP: -1.08; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 54.99Å2; (10)Index of Refraction: 1.482; (11)Molar Refractivity: 20.67 cm3; (12)Molar Volume: 72.3 cm3; (13)Polarizability: 8.19×10-24cm3; (14)Surface Tension: 58 dyne/cm; (15)Density: 1.534 g/cm3.

Preparation of Sulfamic acid,N-methyl-: it is prepared by reaction of 1,3-dimethyl-urea. This reaction needs reagents cc. sulfuric acid, gaseous sulfur trioxide and solvent 1,2-dichloro-ethane at 70-80 °C for 15 minutes. The yield is about 98%.

Sulfamic acid,N-methyl- is prepared by reaction of 1,3-dimethyl-urea.

Uses of Sulfamic acid,N-methyl-: it is used to prepared C11H20N2O2S by reaction with adamantan-2-ylamine. This reaction needs reagent 1,1'-carbonyldiimidazole and solvent CH2Cl2 in two steps for 15 minutes. The yield is about 61%.

Sulfamic acid,N-methyl- is used to prepared C11H20N2O2S by reaction with adamantan-2-ylamine.

When you are using this chemical, please be cautious about it. As a chemical, it may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, take off immediately all contaminated clothing and wash imediately. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNS(=O)(=O)O
2. InChI: InChI=1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)
3. InChIKey: MYMDOKBFMTVEGE-UHFFFAOYSA-N        

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