基本情報
- 標準SMILES
N=C(N)S(=O)O- InChIKey
FYOWZTWVYZOZSI-UHFFFAOYSA-N- 分子式
- CH4N2O2S
- 平均分子量
- 108.12 g/mol
- 単同位体質量
- 107.99934837
概要
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.
名称と識別子
- 優先名称
- Thiourea dioxide
- IUPAC
- amino(imino)methanesulfinic acid
- 現地名
- ホルムアミジンスルフィン酸
- 英語名
- Thiourea dioxide
- 分子式
- CH4N2O2S
- 分子量
- 108.12
名称と別名
Thiourea dioxide1758-73-2Formamidinesulfinic acidManofastFormamidine sulfinic acidAMINOIMINOMETHANESULFINIC ACIDNSC 34540NSC 22697942BWR07L73NSC-34540NSC-226979RefChem:897984
名称をさらに表示
ホルムアミジンスルフィン酸1,1-ジアミノ-2-チアエテン2,2-ジオキシドイソチオ尿素2,2-ジオキシド二酸化チオ尿素チオ尿素S,S-ジオキシドチオ尿素ジオキシドアミジノスルフィン酸アミノイミノメタンスルフィン酸二酸化チオウレア(ジアミノメチリデン)-λ6-スルファンビス(イリウム)ビス(オラート)Thiurea dioxideThiourea S,S-dioxideFORMAMIDINESULPHINIC ACIDaminoimino-methanesulfinicaciFASTECHAmino(imino)FAS PRIMER PAIRTiourea dioxide
217-157-8amino(imino)methanesulfinic acidcarbamimidoylsulfinic acidAminoiminomethanesulphinic acidAIMSAMethanesulfinic acid, 1-amino-1-imino-Methanesulfinic acid, aminoimino-formamidine sulfuric acid
データベース識別子
- CAS
1758-73-2、4189-44-0- PubChem CID
- 61274
- DTXSID
DTXSID4029224- UNII
- 42BWR07L73
- EC Number
- 217-157-8
- Nikkaji
- J1.000.659G
物性
構造計算による物性
- XLogP
- -1.1
- 極性表面積
- 106 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 89.5
実験および物理化学的性質
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
物理化学的性質
- 融点
- 124 · 124-127 °C (dec.)(lit.)
- 沸点
- 355.3 · 355.3±25.0 °C(Predicted)
- 比重(密度)
- 1.68 · 1.68
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.655 · 1.6550 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 27 g/リットル · 27g/リットル
- 外見
- 結晶性粉末
- 酸解離定数(Pka)
- 2.4 · 2.40±0.10(Predicted)
- 色
- 白い
- PH
- 4 · 4 (10g/l, H2O, 20℃)
- 水溶解度
- 30 g/L · 30g/L(20℃)
- BRN
- 506653 · 506653
- 化粧品成分の機能
- 還元剤
- 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 データベース
- 1758 · 1758-73-2(CAS DataBase Reference)
- EPAの化学物質情報
- Methanesulfinic acid, aminoimino- (1758-73-2)
化学的性質
化学的特性white crystalline powder
化学性质色針状晶．分解点126℃
安全と法規制
GHS分類
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
危険有害性情報
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
Other Safety InformationIMAP assessments - Methanesulfinic acid, aminoimino-: Human health tier II assessment
DOT LabelSpontaneously Combustible
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.
DOT ID and Guide3341 135
Reactive GroupAmides and Imides
Reactivity AlertsPyrophoric
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
Air and Water ReactionsSoluble in water. May decompose on exposure to moist air or water.
Hazard Classes and Categories
Self-heat. 1 (59.8%)
Eye irritation - category 2A
Self-heating substances and mixtures - Category 1
安全と保護具
Fire FightingExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
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:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Isolation and Evacuation
Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 135 [Substances - Spontaneously Combustible]:
Emergency Response Planning Guidelines· DO NOT USE WATER, CO2 OR FOAM ON MATERIAL ITSELF.
安全データ
- 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
- 化審法
- (2)-2873
- hazard_code
- Xn,Xi
- safety_code
- 26-24/25-36
- hazard_class
- 4.2
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Self-heat. 1Skin Irrit. 2STOT RE 2STOT SE 3
- ストレージクラス
- 4.2 - Pyrophoric and self-heating hazardous materials
化学と産業
用途と製造
U.S. Production2023: 350,722 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesBleaching agent
General Manufacturing Information
Not Known or Reasonably Ascertainable
Methanesulfinic acid, 1-amino-1-imino-: ACTIVE
応用分野
用途還元剤であり、紙のリサイクルやプリントされた織物の染料を脱色させるために使用される。
使用Convenient 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).
一般的な説明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.
使用用途二酸化チオ尿素の主な使用用途は、還元剤です。皮革加工、製紙産業、写真産業、繊維加工などの分野で広く使用されています。具体的な利用方法には、古紙の漂白による紙のリサイクルや織物の染料の脱色、羊毛や絹の漂白などがあります。 その他の用途は、ポリマー材料工業などにおける有機合成の際の触媒や、写真用エマルジョンの増感剤の添加物、医薬品の製造などです。さらに、貴金属の回収および分離などの用途もあります。熱安定性が良く、還元性に優れ、操作及び輸送が容易で保管が容易であることから、広く好まれて用いられている物質です。
調製方法
純化方法Dissolve it in five parts of aqueous 1:1% NaHSO3 at 60-63o (charcoal), then allow it to crystallise slowly, with agitation, at 10o. Filter and dry it immediately at 60o [Koniecki & Linch Anal Chem 30 1134 1958]. [Beilstein 3 I 36, 3 IV 145.]
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