CAS 13881-91-9 Aminomethanesulfonic acid (HCID 83791)

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Basic information

CAS: 13881-91-9
Standard SMILES: NCS(=O)(=O)O
InChIKey: OBESRABRARNZJB-UHFFFAOYSA-N
Molecular formula: CH5NO3S
Average molar mass: 111.12 g/mol
Monoisotopic mass: 110.9990142

Names & identifiers

Preferred name: Aminomethanesulfonic acid
IUPAC: aminomethanesulfonic acid
English name: Aminomethanesulfonic acid
Molecular formula: CH5NO3S
Molecular weight: 111.12

Names & synonyms

Aminomethanesulfonic acid13881-91-9Methanesulfonic acid, amino-Aminomethanesulphonic acid(Aminomethyl)sulfonic acidMethanesulfonic acid, 1-amino-OLA224Z482NSC-39851NSC-209983DTXSID2065670RefChem:112048DTXCID4034499

Show more names

AminomethanesulfonicCarbamic sulfonic acidAminomethanesulfoniccidamino-methanesulfonicaciAminomethylsulphonic acidAminomethanesulfonicAcid>Methanesulfonic acid, amino-

237-649-6MFCD000081246939-85-1Sodium aminomethanesulphonateNSC 39851NSC39851aminomethylsulfonic acidaminomethanesulfonicacid

Database identifiers

CAS: 13881-91-9、6939-85-1
PubChem CID: 83791
DTXSID: DTXSID2065670
ChEMBL: CHEMBL1741886
UNII: OLA224Z482
EC Number: 230-076-2、237-649-6
Nikkaji: J93.626J

Properties

Computed structural properties

XLogP: -4
Topological polar surface area: 88.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 107

Experimental & physicochemical properties

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 184 °C · 184 °C (dec.) (lit.)
Density: 1.339 · 1.339 (estimate)
refractive index: 1.513 · 1.5130 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 17 g/l · 17g/l
pka: 1 · pK1: 5.57(+1) (25°C)
form: Fine Powder
color: White
PH: 3.2 · 3.2 (17g/l, H2O, 17℃)
Water Solubility: 17 g/L) · Soluble in water. (17 g/L) at 17°C
BRN: 1811756 · 1811756
InChI: 1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
InChIKey: OBESRABRARNZJB-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Methanesulfonic acid, amino-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Regulatory information

Regulatory InformationChemical: Methanesulfonic acid, amino-

Safety data

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanesulfonic acid, 1-amino-: INACTIVE

Applications · 1 item

UsesAminomethanesulfonic acid can be used as a reactant to synthesize: 1-Sulfomethyltetrazole-5-thiol disodium salts, which are useful key intermediates for the preparation of cefonicid sodium. Tridentate N-(2-hydroxybenzyl)aminomethane sulfonic acid Schiff-base ligand by reacting with salicylaldehyde. It can also be used to functionalize the surface of single-walled carbon nanotubes (SWCNT) or porous metal-organic frameworks (MOF) to introduce the sulfonic acid functional groups for the preparation of nanocomposites.