Tris(hydroxymethyl)nitromethane (CAS 126-11-4) — formula C4H9NO5, molecular weight 151.12; category pharmaceutical intermediates and APIs.
| CAS Number | 126-11-4 |
|---|---|
| Molecular Formula | C4H9NO5 |
| Molecular Weight | 151.12 |
| Melting Point | 214 °C (pure) |
| LogP | -2.2 |
| Applications | Uses: Used as a general disinfectant, bactericide (circulating industrial water systems, cutting oils, secondary oil field recovery waters, and paper mills), and preservative (latex paints, polishes, non-protein glues, sizings, and detergents), Also used as a disinfectant in livestock and poultry farms, [HSDB], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Using Disinfectants or Biocides [Category: Clean], For 2-hydroxymethyl-2-nitro-1, 3-propanediol (USEPA, OPP Pesticide Code: 083902) ACTIVE products with label matches., SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Bactericide for inanimate objects. To inhibit bacterial growth in circulating industrial water systems, non-protein glues and sizings., Disinfectant (general), microbicide, microbiostat (slime-forming bacteria and fungi) ... industrial preservative, preservative (bacteriostat), Microbiocide and bacteriostat in disinfectants and industrial preservatives. Specifically ... used as an industrial preservative in metalworking fluids, paper mills, and commercial, industrial water cooling systems, as an in-can preservative in latex paints, and detergents, and as a disinfectant to control disease organisms in livestock and poultry areas on farms and equipment., Use Classification: Cosmetics -> Viscosity controlling, Industry Uses: Polymerization promoter, Other, Consumer Uses: Other, Methods of Manufacturing: ...three moles of formaldehyde react with nitromethane via the Henry reaction., Prepn from trioxymethylene and nitromethane, Formulations, Preparations: Trade name: Cimcool wafers, Technical grade active ingredient, manufacturing use, end use, soluble concentrate, liquid, solid, pelleted, tableted, crystalline (19.2-100% active ingredient), U.S. Production: 2023: 11, 139, 774 lb, 2022: 14, 166, 532 lb, 2021: 11, 856, 129 lb, 2020: 9, 481, 874 lb, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., (1986) >1 million-10 million pounds, (1990) >1 million-10 million pounds, (1994) >1 million-10 million pounds, For more U.S. Production (Complete) data for 2-HYDROXYMETHYL-2-NITRO-1, 3-PROPANEDIOL (6 total), please visit the HSDB record page., General Manufacturing Information: Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, 1, 3-Propanediol, 2-(hydroxymethyl)-2-nitro-: ACTIVE |
| Category | Pharmaceutical Raw Materials |
Documented applications: Uses: Used as a general disinfectant, bactericide (circulating industrial water systems, cutting oils, secondary oil field recovery waters, and paper mills), and preservative (latex paints, polishes, non-protein glues, sizings, and detergents), Also used as a disinfectant in livestock and poultry farms, [HSDB], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Using Disinfectants or Biocides [Category: Clean], For 2-hydroxymethyl-2-nitro-1, 3-propanediol (USEPA, OPP Pesticide Code: 083902) ACTIVE products with label matches., SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Bactericide for inanimate objects. To inhibit bacterial growth in circulating industrial water systems, non-protein glues and sizings., Disinfectant (general), microbicide, microbiostat (slime-forming bacteria and fungi) ... industrial preservative, preservative (bacteriostat), Microbiocide and bacteriostat in disinfectants and industrial preservatives. Specifically ... used as an industrial preservative in metalworking fluids, paper mills, and commercial, industrial water cooling systems, as an in-can preservative in latex paints, and detergents, and as a disinfectant to control disease organisms in livestock and poultry areas on farms and equipment., Use Classification: Cosmetics -> Viscosity controlling, Industry Uses: Polymerization promoter, Other, Consumer Uses: Other, Methods of Manufacturing: ...three moles of formaldehyde react with nitromethane via the Henry reaction., Prepn from trioxymethylene and nitromethane, Formulations, Preparations: Trade name: Cimcool wafers, Technical grade active ingredient, manufacturing use, end use, soluble concentrate, liquid, solid, pelleted, tableted, crystalline (19.2-100% active ingredient), U.S. Production: 2023: 11, 139, 774 lb, 2022: 14, 166, 532 lb, 2021: 11, 856, 129 lb, 2020: 9, 481, 874 lb, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., (1986) >1 million-10 million pounds, (1990) >1 million-10 million pounds, (1994) >1 million-10 million pounds, For more U.S. Production (Complete) data for 2-HYDROXYMETHYL-2-NITRO-1, 3-PROPANEDIOL (6 total), please visit the HSDB record page., General Manufacturing Information: Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, 1, 3-Propanediol, 2-(hydroxymethyl)-2-nitro-: ACTIVE.
Tris(hydroxymethyl)nitromethane is a pharmaceutical intermediate or API compound with CAS registry number 126-11-4 and molecular formula C4H9NO5 (molecular weight 151.12), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 126-11-4
Its molecular formula C4H9NO5 comprises 4 C, 9 H, 1 N, 5 O atoms.
Also known as: Tris(hydroxymethyl)nitromethane · 三(羟甲基)硝基甲烷
Category: pharmaceutical intermediates and APIs
The CAS registry number of Tris(hydroxymethyl)nitromethane is 126-11-4.
Molecular formula C4H9NO5, molecular weight 151.12.
It is also registered under: Tris(hydroxymethyl)nitromethane, 三(羟甲基)硝基甲烷.
Recorded applications: Uses: Used as a general disinfectant, bactericide (circulating industrial water systems, cutting oils, secondary oil field recovery waters, and paper mills), and preservative (latex paints, polishes, non-protein glues, sizings, and detergents), Also used as a disinfectant in livestock and poultry farms, [HSDB], Metal Machining [Category: Heat or Machine], Petroleum Production and Refining [Category: Industry], Pulp and Paper Processing [Category: Industry], Textiles (Fiber & Fabric Manufacturing) [Category: Industry], Painting (Pigments, Binders, and Biocides) [Category: Paint], Working with Glues and Adhesives [Category: Other], Using Disinfectants or Biocides [Category: Clean], For 2-hydroxymethyl-2-nitro-1, 3-propanediol (USEPA, OPP Pesticide Code: 083902) ACTIVE products with label matches., SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., Bactericide for inanimate objects. To inhibit bacterial growth in circulating industrial water systems, non-protein glues and sizings., Disinfectant (general), microbicide, microbiostat (slime-forming bacteria and fungi) ... industrial preservative, preservative (bacteriostat), Microbiocide and bacteriostat in disinfectants and industrial preservatives. Specifically ... used as an industrial preservative in metalworking fluids, paper mills, and commercial, industrial water cooling systems, as an in-can preservative in latex paints, and detergents, and as a disinfectant to control disease organisms in livestock and poultry areas on farms and equipment., Use Classification: Cosmetics -> Viscosity controlling, Industry Uses: Polymerization promoter, Other, Consumer Uses: Other, Methods of Manufacturing: ...three moles of formaldehyde react with nitromethane via the Henry reaction., Prepn from trioxymethylene and nitromethane, Formulations, Preparations: Trade name: Cimcool wafers, Technical grade active ingredient, manufacturing use, end use, soluble concentrate, liquid, solid, pelleted, tableted, crystalline (19.2-100% active ingredient), U.S. Production: 2023: 11, 139, 774 lb, 2022: 14, 166, 532 lb, 2021: 11, 856, 129 lb, 2020: 9, 481, 874 lb, This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., (1986) >1 million-10 million pounds, (1990) >1 million-10 million pounds, (1994) >1 million-10 million pounds, For more U.S. Production (Complete) data for 2-HYDROXYMETHYL-2-NITRO-1, 3-PROPANEDIOL (6 total), please visit the HSDB record page., General Manufacturing Information: Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, 1, 3-Propanediol, 2-(hydroxymethyl)-2-nitro-: ACTIVE.
Category: Pharmaceutical Raw Materials.
Independent reference data for Tris(hydroxymethyl)nitromethane (CAS 126-11-4), compiled from public chemistry databases.
tris(hydroxymethyl)nitromethane · CAS 126-11-4 · C4H9NO5. UNII 3E794G4ZRB. Melting Point: 214 °C (pure); Solubility: In water, 2.20X10+6 mg/L at 20 °C; Vapor Pressure: 0.00000154 [mmHg].
| CAS 號 | 126-11-4 |
|---|---|
| PubChem CID | 31337 |
| 分子式 | C4H9NO5 |
| IUPAC 名稱 | 2-(hydroxymethyl)-2-nitropropane-1,3-diol |
| UNII（FDA） | 3E794G4ZRB |
| Molecular Weight | 151.12 |
|---|---|
| XLogP3 | -2.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 151.04807239 |
| Monoisotopic Mass | 151.04807239 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 10 |
| Melting Point | 214 °C (pure) |
|---|---|
| Solubility | In water, 2.20X10+6 mg/L at 20 °C |
| Vapor Pressure | 0.00000154 [mmHg] |
| 法規與食品接觸 | FDA Cumulative Estimated Daily Intake (CEDI): FCS 1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-NITRO CIR / INCI: Viscosity controlling |
|---|
| 已通報的危害聲明 | H302, H332 (58.6%), H315 (37.7%), H319 (37.7%), H335 (24.1%), H400 (58%), H410 (58%) |
|---|
Tris(hydroxymethyl)nitromethane; 126-11-4; 2-(Hydroxymethyl)-2-nitro-1,3-propanediol; Cimcool wafers; Trimethylolnitromethane; Nitroisobutylglycerol; 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-; Trihydroxymethylnitromethane; Nitrotris(hydroxymethyl)methane; 2-(Hydroxymethyl)-2-nitropropanediol; 2-Nitro-2-(hydroxymethyl)-1,3-propanediol; 2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL; DTXSID8027034; 2-Hydroxymethyl-2-nitropropane-1,3-diol; 3E794G4ZRB; NSC-17675
CAS 號 126-11-4；分子式 C4H9NO5；分子量 — g/mol。
Tris(hydroxymethyl)nitromethane, 126-11-4, 2-(Hydroxymethyl)-2-nitro-1,3-propanediol, Cimcool wafers, Trimethylolnitromethane, Nitroisobutylglycerol.
已記錄的法規收錄：FDA Cumulative Estimated Daily Intake (CEDI): FCS; 1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-NITRO; CIR / INCI: Viscosity controlling。
已通報的危害聲明：H302, H332, H315, H319, H335。
Melting Point: 214 °C (pure); Solubility: In water, 2.20X10+6 mg/L at 20 °C; Vapor Pressure: 0.00000154 [mmHg].
本頁事實取自 PubChem（美國國家醫學圖書館）與 Wikidata。批號相關資料——含量、水分、粒徑、包裝、保質期——隨批次 COA 出具，不在本頁公布。
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三(羟甲基)硝基甲烷