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Tris(hydroxymethyl)nitromethane

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Name

Tris(hydroxymethyl)nitromethane

EINECS 204-769-5
CAS No. 126-11-4 Density 1.512 g/cm3
Solubility Melting Point 160 °C (dec.)(lit.)
Formula C4H9NO5 Boiling Point 445.6 °C at 760 mmHg
Molecular Weight 151.12 . Flash Point 209.3 °C
Transport Information Appearance yellow Crystalline Powder
Safety 26-36 Risk Codes 22-36/37/38-20/21/22
Molecular Structure Molecular Structure of 126-11-4 (Tris(hydroxymethyl)nitromethane) Hazard Symbols HarmfulXn
Synonyms

1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane;1-Nitro-1,1,1-tris(hydroxymethyl)methane;2-(Hydroxymethyl)-2-nitro-1,3-propanediol;2-(Hydroxymethyl)-2-nitropropanediol;2-Nitro-2-(hydroxymethyl)-1,3-propanediol;Isobutylglycerol, nitro-;NSC 17675;NSC 2344;Nitroisobutylglycerol;Nitrotrimethylolmethane;Nitrotris(hydroxymethyl)methane;Trihydroxymethylnitromethane;Trimethylolnitromethane;Tris Nitro;

 

Tris(hydroxymethyl)nitromethane Chemical Properties

Product Name: Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4)

MF: C4H9NO5
MW: 151.12g/mol
Appearance: Odorless, white crystalline powder
Solubility in water: Soluble
Index of Refraction: 1.536  
EINECS: 204-769-5
Density: 1.512 g/ml 
Flash Point: 209.3 °C
Boiling Point: 445.6 °C
Melting Point: 160 °C
Merck: 14,9753
BRN: 742427
Index of Refraction: 1.536 
Molar Refractivity: 31.17 cm3 
Molar Volume: 99.9 cm3 
Surface Tension: 76.1 dyne/cm
Enthalpy of Vaporization: 81.19 kJ/mol
Vapour Pressure: 8.21E-10 mmHg at 25°C
XLogP3-AA: -2.2
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4):
  IUPAC Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol
  Canonical SMILES: C(C(CO)(CO)[N+](=O)[O-])O
  InChI: InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2 
  InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N

Tris(hydroxymethyl)nitromethane Uses

 Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4) is used as inanimate objects with the disinfectant and bactericide. Used to follow the industrial water system, cut-elimination oil, non-protein gel and the slurry to inhibit multiplication of bacteria. Preparation of amine intermediates of drug relief.

Tris(hydroxymethyl)nitromethane Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977.
mouse LD50 oral 1900mg/kg (1900mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1198, 1966.
rabbit LDLo oral 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: COMA
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LD50 oral 1900mg/kg (1900mg/kg)   Industrial Medicine and Surgery. Vol. 39, Pg. 56, 1970.

Tris(hydroxymethyl)nitromethane Consensus Reports

Reported in EPA TSCA Inventory.

Tris(hydroxymethyl)nitromethane Safety Profile

Poison by ingestion. Moderately toxic by intraperitoneal route. Probably an irritant. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
Safety information of Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4):
Hazard Codes  Xn
Risk Statements 
36/37/38  Irritating to eyes, respiratory system and skin
20/21/22  Harmful by inhalation, in contact with skin and if swallowed
Safety Statements 
26  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36  Wear suitable protective clothing
WGK Germany  3
RTECS  TY7350000
F  4.10

Tris(hydroxymethyl)nitromethane Specification

 Tris(hydroxymethyl)nitromethane , its CAS NO. is 126-11-4, the synonyms are 1,1,1-Tris(hydroxymethyl)nitromethane ; 1,3-Propanediol,2-(hydroxymethyl)-2-nitro- ; 2-(Hydroxymethyl)-2-nitro-3-propanediol ; 2-(Hydroxymethyl)-2-nitropropane-1,3-diol ; 2-(Hydroxymethyl)-2-nitropropanediol ; Cimcool wafers . Keep containers closed when not in use.Whash thoroughly after handling.Chemical splash goggles in compliance with OSHA regulations are advised; however, OSHA regulations also permit other type safety glasses. Whre chemical resistant gloves. To prevent repeated or prolonged skin contact, wear impervious clothing and boots.

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