Basic information
- CAS
7803-58-9- Standard SMILES
NS(N)(=O)=O- InChIKey
NVBFHJWHLNUMCV-UHFFFAOYSA-N- Molecular formula
- H4N2O2S
- Average molar mass
- 96.11 g/mol
- Monoisotopic mass
- 95.99934837
Overview
Sulfamide is the simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to two amino groups and by double bonds to two oxygen atoms.
Names & identifiers
- Preferred name
- Sulfamide
- IUPAC
- sulfamide
- English name
- Sulfamide
- Molecular formula
- H4N2O2S
- Molecular weight
- 96.11
Names & synonyms
Show more names
Database identifiers
- CAS
7803-58-9- PubChem CID
- 82267
- DTXSID
DTXSID5064885- ChEMBL
CHEMBL355001- ChEBI
CHEBI:29368- UNII
- VS7TZW634V
- EC Number
- 232-262-9
- Nikkaji
- J134.318A
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 85.3
Physicochemical properties
- Melting point
- 90 · 90-92 °C(lit.)
- Density
- 1.611 g/mL · 1.611 g/mL at 25 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear, colorless to faintly yellow
- form
- Crystalline Powder, Free From Visible Impurities
- pka
- 10.87 · 10.87±0.60(Predicted)
- color
- White to practically white , free from visible impurities
- PH
- 5.67 at · 5.67 at 21.7℃ and 10g/L
- Water Solubility
- soluble
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,8922
- InChI
- 1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
- InChIKey
- NVBFHJWHLNUMCV-UHFFFAOYSA-N
- SMILES
- NS(N)(=O)=O
- CAS DataBase Reference
- 7803 · 7803-58-9(CAS DataBase Reference)
- FDA UNII
- 7 TZW634V · VS7TZW634V
- NIST Chemistry Reference
- Sulfamide(7803-58-9)
- EPA Substance Registry System
- Sulfamide (7803-58-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- F
- 9 · 9
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 28530090 · 28530090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (2 of 54) of reports.
Warning
H315 (96.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Sulfamide
Status: Active Update: 15-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18217
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 28530090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
DescriptionSulfamide is a white solid substance that is normally produced by reacting sulfuryl chloride with ammonia. Sulfamide is stable under normal conditions and soluble in acetone and DMSO. Sulfamide may also refer to the functional group in organic chemistry, and it consists of at least one group attached to a nitrogen atom of sulfamide. It is a carbonic anhydrase inhibitor and is widely used as a pharmaceutical intermediate. Sulfamide is sensitive to moisture, thus should be kept away from water and humidity. It should also be stored away from oxidizing agents. Sulfamide should be kept in a tightly closed container and placed in a cool, dry, and well-ventilated condition.
UsesSulfamide and its derivatives can also be used to prepare fused thiadiazine systems, Reaction with 2-aminoacetophenones affords IH-2,1,3-benzothia- diazine 2,2-dioxides 77 (65JOC3960). The corresponding 3,4-dihydro deriv- atives are readily available from 2-aminobenzylamines with either sulfuryl chloride (70M1443) or sulfamide (66USP3278532; 71MI055). These kinds of compounds can also be obtained from N-aryl-N'-alkylsulfamides and s-trioxane in a reaction involving cyclization by intramolecular sulfamido- methylation (79JOC2032) (Scheme 30).
UsesSimilar to urea in many of its reactions, but is more acidic, and can act as a dibasic acid.
UsesA carbonic anhydrase inhibitor; used for treatment of cancer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to two amino groups and by double bonds to two oxygen atoms.
Related reactions
Compound notes
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