sulfamic acid

• ChemBase ID: 105860
• Molecular Formular: H3NO3S
• Molecular Mass: 97.09372
• Monoisotopic Mass: 96.98336396
• SMILES: NS(=O)(=O)O
• Canonical SMILES: NS(=O)(=O)O
• InChI: InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
• InChIKey: IIACRCGMVDHOTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sulfamic acid
• IUPAC Traditional name: sulfonic acids; sulfamic acid; sulfamate
• Synonyms: Amidosulfonic acid; Sulfamic acid; Amidosulfonic acid, ACS; Amidosulfonic acid; Sulfamic acid; Sulfamic acid; SULFAMIC ACID, REAGENT GRADE; SULFAMIC ACID ACS REAGENT GRADE; 氨基磺酸, ACS; 磺酰胺酸; 氨基磺酸

Database IDs

• CAS Number: 5329-14-6
• EC Number: 226-218-8
• MDL Number: MFCD00011603
• Merck Index: 148921
• PubChem SID: 24854582; 24863940; 24854581; 24846066; 24888508; 24871761; 162088988
• PubChem CID: 5987
• CHEBI ID: 9330
• CHEMBL: 68253
• Chemspider ID: 5767
• Wikipedia Title: Sulfamic_acid

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7928216
• LogD (pH = 7.4): -3.7928267
• Log P: -1.416428
• Molar Refractivity: 15.3062 cm^3
• Polarizability: 6.984827 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: -1.810121

PROPERTIES

Physical Property

• Solubility: moderate, with slow hydrolysis in water
• Apperance: Crystalline; white crystals
• Melting Point: 190°C; 205 °C decomp.; 215-225 °C (dec.)(lit.); ca 205°C dec.; ca. 190 °C
• Density: 2.12; 2.126 g/ml; 2.15 g/cm^3
• Vapor Pressure: .0078 hPa at 20 °C
• pKa: 1.0

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: W05950000; WO5950000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2967; UN2967
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 2Z
• Risk Statements: 36/38-52/53; R:36/38-52/53; R36/38 R52/53
• Safety Statements: 2-26-28-61; 26-28-61; S:26-28-61; S2 S26 S28 S61
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• EU Index: 016-026-00-0
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H319-H303-H402-H412; H315-H319-H412
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2967 8/PG 3

Pharmacology Properties

• Gene Information: human ... CA1(759), CA2(760)

Product Information

• Purity: ≥99%; ≥99%; ≥99.0%; ≥99.0% (T); ≥99.5%; ≥99.5% (alkalimetric); 98%; 98+%; 99.3%; 99.3-100.3% (Assay dried basis); 99.3-100.3% (dried material); 99.3-100.3% dry basis (ACS specification); 99.99% (metals basis); 99.999% trace metals basis
• Grade: ACS; ACS reagent; analytical standard (for acidimetry); JIS special grade; purum p.a.; REAGENT; reagent grade; ReagentPlus®; SAJ first grade
• Ignition Residue: ≤0.01%; ≤0.01% (as SO4); ≤0.02%; ≤0.1% (as SO4)
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.01% insolubles
• Cation Traces: Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤30 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤10 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤1000 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Linear Formula: NH2SO3H

DETAILS

MP Biomedicals - 05211502

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194860

ACS Reagent Grade
Purity: 99+%

Sigma Aldrich - 481505

Features and Benefits
Meets A.C.S. reagent specifications.
Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 86042

Other Notes
Review1

Sigma Aldrich - 86040

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 242780

Packaging
1, 3 kg in poly bottle

Sigma Aldrich - 242772

Packaging
100, 500 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 383120

Packaging
100, 500 g in poly bottle

REFERENCES

• May be used to destroy excess HNO₂ in diazotization reactions. Effective catalyst for acetylation of alcohols and phenols with acetic anhydride at room temperature: Synth. Commun., 28, 3173 (1998), and for tetrahydropyranylation of alcohols: Synth. Commun., 33, 3929 (2003).
• Widely used to destroy excess HNO₂ in diazotization reactions. Effective catalyst for acetylation of alcohols and phenols with acetic anhydride at room temperature: Synth. Commun., 28, 3173 (1998). Solvent-free tetrahydropyranylation of alcohols has been accomplished under mild conditions: Synth. Commun., 33, 3929 (2003). Catalyzes the addition-esterification of aliphatic carboxylic acids with cyclic olefins: Catal. Lett., 96, 71 (2004). For a brief feature on uses in synthesis, see: Synlett, 1342 (2005).