Basic information
- CAS
1758-73-2- Standard SMILES
N=C(N)S(=O)O- InChIKey
FYOWZTWVYZOZSI-UHFFFAOYSA-N- Molecular formula
- CH4N2O2S
- Average molar mass
- 108.12 g/mol
- Monoisotopic mass
- 107.99934837
Overview
Thiourea dioxide appears as a white or light-yellow odorless crystalline powder. Mp:126 °C. Soluble in water (27 g / L at room temperature). Decomposes exothermically at temperatures above 126 °C with the emission of noxious gases (sulfur oxides, ammonia, carbon monoxide, nitrogen oxides and hydrogen sulfide) and carbon dioxide. Extended exposure to temperatures above 50 °C and moisture may cause visible decomposition. Irritating to skin and mucous membranes. Corrosive to eye tissue. Used in leather processing, the paper industry, photographic industry, and in textile processing as a bleaching agent.
Names & identifiers
- Preferred name
- Thiourea dioxide
- IUPAC
- amino(imino)methanesulfinic acid
- English name
- Thiourea dioxide
- Molecular formula
- CH4N2O2S
- Molecular weight
- 108.12
Names & synonyms
Show more names
Database identifiers
- CAS
1758-73-2、4189-44-0- PubChem CID
- 61274
- DTXSID
DTXSID4029224- UNII
- 42BWR07L73
- EC Number
- 217-157-8
- Nikkaji
- J1.000.659G
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 89.5
Experimental & physicochemical properties
Physical Description
Thiourea dioxide appears as a white or light-yellow odorless crystalline powder. Mp:126 °C. Soluble in water (27 g / L at room temperature). Decomposes exothermically at temperatures above 126 °C with the emission of noxious gases (sulfur oxides, ammonia, carbon monoxide, nitrogen oxides and hydrogen sulfide) and carbon dioxide. Extended exposure to temperatures above 50 °C and moisture may cause visible decomposition. Irritating to skin and mucous membranes. Corrosive to eye tissue. Used in leather processing, the paper industry, photographic industry, and in textile processing as a bleaching agent.
Dry Powder
Physicochemical properties
- Melting point
- 124 · 124-127 °C (dec.)(lit.)
- Boiling point
- 355.3 · 355.3±25.0 °C(Predicted)
- Density
- 1.68 · 1.68
- bulk density
- 850 kg/m3 · 850kg/m3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.655 · 1.6550 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 27 g/l · 27g/l
- form
- Crystalline Powder
- pka
- 2.4 · 2.40±0.10(Predicted)
- color
- White
- PH
- 4 · 4 (10g/l, H2O, 20℃)
- Water Solubility
- 30 g/L · 30 g/L (20 ºC)
- Sensitive
- Moisture Sensitive
- BRN
- 506653 · 506653
- Cosmetics Ingredients Functions
- REDUCING
- InChI
- 1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)
- InChIKey
- FYOWZTWVYZOZSI-UHFFFAOYSA-N
- SMILES
- NC(=N)S(O)=O
- LogP
- -3.37 at · -3.37 at 25℃
- CAS DataBase Reference
- 1758 · 1758-73-2(CAS DataBase Reference)
- FDA UNII
- 42 BWR07L73 · 42BWR07L73
- EPA Substance Registry System
- Methanesulfinic acid, aminoimino- (1758-73-2)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 251 · H251-H302-H315-H318-H330-H335-H373
- Precautionary statements
- 235 · P235-P280-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P314
- target organs
- Lungs, Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 5 · 5-22-36/37/38
- Safety Statements
- 26 · 26-24/25-36
- RIDADR
- 3341 · UN 3341 4.2/PG II/III (THIOUREA DIOXIDE)
- WGK Germany
- 1 · 1
- RTECS
- 372500 · PB0372500
- TSCA
- TSCA listed
- HazardClass
- 4.2 · 4.2
- PackingGroup
- II
- HS Code
- 29309070 · 29309070
- Storage Class
- 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Self-heat. 1Skin Irrit. 2STOT RE 2STOT SE 3
- REACH Registrations
- Active
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (4 of 164) of reports.
Danger
H251 (59.8%): Self-heating; may catch fire [Danger Self-heating substances and mixtures]
P235, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Methanesulfinic acid, aminoimino-
Methanesulfinic acid, 1-amino-1-imino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanesulfinic acid, 1-amino-1-imino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/8595
Thiourea dioxide: HSNO Approval: HSR001431 Approved with controls
Fire Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
· Fire will produce irritating, corrosive and/or toxic gases.
Reactivity Profile
Thiourea dioxide is a reducing agent and a derivative of sulfinic acid (a weak inorganic acid). Decolorizes and bleaches materials by chemical reduction. Stable under normal temperatures and pressures. May decompose on exposure to moist air or water. Incompatible with strong oxidizing agents, strong bases. Aqueous solutions are acidic and corrosive.
DOT Hazard Classification
Thiourea dioxide
UN3341
Div 4.2 Spontaneously combustible material (49 eCFR § 173.124)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Self-heat. 1 (59.8%)
Eye irritation - category 2A
Self-heating substances and mixtures - Category 1
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Immediate precautionary measure
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- PB0372500
- ridadr
- UN 3341 4.2/PG II/III (THIOUREA DIOXIDE)
- hs_code
- 29309070
- risk_code
- 5-22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS08
- hazard_code
- Xn,Xi
- safety_code
- 26-24/25-36
- hazard_class
- 4.2
- Storage Class
- 4.2 - Pyrophoric and self-heating hazardous materials
- packing_group
- II
- target organs
- Lungs, Respiratory system
- Hazard statements
- H251-H302-H315-H318-H330-H335-H373
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Self-heat. 1Skin Irrit. 2STOT RE 2STOT SE 3
- Precautionary statements
- P235-P280-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P314
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Not Known or Reasonably Ascertainable
Methanesulfinic acid, 1-amino-1-imino-: ACTIVE
Applications
UsesConvenient reagent for the reduction of ketones to secondary alcohols. Thiourea dioxide is an effective bleach when used alone or when used after hydrogen peroxide in a full bleaching process (Duffield, 1986; Cegarra et al, 1988). Bleaching with thiourea dioxide is not common practice but it is effective when used alone, and the process compares favorably with hydrogen peroxide bleaching. A formulation can include a commercial thiourea dioxide product, wetting agent and EDTA sequestering agent. Reductive bleaching is carried out at pH 7.0 at 70°C for 60 min (Duffield, 1986).
General DescriptionA white or light-yellow odorless crystalline powder. Mp:126°C. Soluble in water (27 g / L at room temperature). Decomposes exothermically at temperatures above 126°C with the emission of noxious gases (sulfur oxides, ammonia, carbon monoxide, nitrogen oxides and hydrogen sulfide) and carbon dioxide. Extended exposure to temperatures above 50°C and moisture may cause visible decomposition. Irritating to skin and mucous membranes. Corrosive to eye tissue. Used in leather processing, the paper industry, photographic industry, and in textile processing as a bleaching agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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