Methylsulfamic acid
Basic information
- CAS
4112-03-2- Standard SMILES
CNS(=O)(=O)O- InChIKey
MYMDOKBFMTVEGE-UHFFFAOYSA-N- Molecular formula
- CH5NO3S
- Average molar mass
- 111.12 g/mol
- Monoisotopic mass
- 110.9990142
Names & identifiers
- Preferred name
- Methylsulfamic acid
- IUPAC
- methylsulfamic acid
- English name
- Methylsulfamic acid
- Molecular formula
- CH5NO3S
- Molecular weight
- 111.12
Names & synonyms
Methylsulfamic acid4112-03-2MYMDOKBFMTVEGE-UHFFFAOYSA-DTXSID00961445RefChem:158320DTXCID50207401InChI=1/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)methyl sulfamic acidMFCD00010870Sulfamic acid, methyl-Methylsulamic acidNSC54922
Show more names
methylsulphamic acidMethylsulfamicAcid>N-methylsulfamic acidMethylsulfamic acid 98%Methylsulfamic acid,98%Methylamidosulfuric acidSulfamic acid, N-methyl-
Methylsulfamic acid, 98%SCHEMBL28335SCHEMBL245435SCHEMBL245451SCHEMBL299354SCHEMBL8818424AKOS005255225BS-44091
Database identifiers
- CAS
4112-03-2- PubChem CID
- 244258
- DTXSID
DTXSID00961445- Nikkaji
- J224.916B
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 191 °C · 191 °C (dec.) (lit.)
- Density
- 1.339 · 1.339 (estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -8.47 · -8.47±0.27(Predicted)
- form
- Crystals or Crystalline Powder
- color
- White
- InChI
- 1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)
- InChIKey
- MYMDOKBFMTVEGE-UHFFFAOYSA-N
- SMILES
- CNS(O)(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationSulfamic acid, methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29299090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesMethylsulfamic acid has been used in the preparation of nitroaroyl- or nitroarylsulphonyl-sulphamic acids via condensation reaction with certain nitroaroyl and nitroarylsulphonyl chlorides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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