Tris(hydroxymethyl)nitromethane , 98% , 126-11-4

Synonym(s):
2-Hydroxymethyl-2-nitro-1,3-propanediol

CAS NO.：126-11-4

Empirical Formula: C4H9NO5

Molecular Weight: 151.12

MDL number: MFCD00007395

EINECS: 204-769-5

PRODUCT Properties

• Melting point: 160 °C (dec.) (lit.)
• Boiling point: 273.1°C (rough estimate)
• Density: 1.5652 (rough estimate)
• refractive index: 1.4183 (estimate)
• storage temp.: Store at room temperature
• solubility: H2O: soluble220g/100ml at 20°C
• pka: 12.32±0.10(Predicted)
• form: powder to lump
• color: White to Almost white
• Water Solubility: It is soluble in water.
• Merck: 14,9753
• BRN: 742427
• Cosmetics Ingredients Functions: ANTIMICROBIAL
• InChI: 1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
• InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N
• SMILES: OCC(CO)(CO)[N+]([O-])=O
• LogP: 0.350 (est)
• CAS DataBase Reference: 126-11-4(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-(126-11-4)
• EPA Substance Registry System: 2-(Hydroxymethyl)-2-nitro-1,3-propanediol (126-11-4)

Description and Uses

Tris(hydroxymethyl)nitromethane, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used as a primary and secondary intermediate.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H412
• Precautionary statements: P264-P270-P273-P301+P312-P501
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: TY7350000
• F: 4.10
• TSCA: TSCA listed
• HS Code: 29221990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Aquatic Chronic 3
• Hazardous Substances Data: 126-11-4(Hazardous Substances Data)
• Toxicity: mouse,LD50,intraperitoneal,4gm/kg (4000mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.