ChemicalBook CAS DataBase List 126-11-4

126-11-4

Name	Tris(hydroxymethyl)nitromethane
CAS	126-11-4
EINECS(EC#)	204-769-5
Molecular Formula	C4H9NO5
MDL Number	MFCD00007395
Molecular Weight	151.12
MOL File	126-11-4.mol

Synonyms

2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPANEDIOL 2-NITRO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL AKOS 374 SPECTRIS(TM) NITRO Tri(hydroxymethyl)nitromethane TRIMETHYLOLNITROMETHANE TRIS(HYDROXYMETHYL)AMINOMETHANE TRIS(HYDROXYMETHYL)NITROMETHANE 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 2-hydroxymethyl-2-nitropropane-1,3-diol 3-Propanediol,2-(hydroxymethyl)-2-nitro-1 Cimcool wafers cimcoolwafers Isobutylglycerol, nitro- Methane, trimethylolnitro- Nitro-2-(hydroxymethyl)-1,3-propanediol

Chemical 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
form	powder to lump
pka	12.32±0.10(Predicted)
color	White to Almost white
Water Solubility	It is soluble in water.
Detection Methods	HPLC,NMR,MS
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	126-11-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H412
Precautionary statements	P264-P270-P273-P301+P312-P501
Hazard Codes	Xn
Risk Statements	R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	TY7350000
F	4.10
TSCA	Yes
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. less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Off-white to orange solid

Uses

2-Hydroxymethyl-2-nitro-1,3-propanediol is a bactericide and slimicide for use in cooling fluids, paper and pulp industry; as a curing agent for certain adhesives; viscositycontrolling agent in cosmetics.

Uses

Bactericide for inanimate objects. To inhibit bacterial growth in circulating industrial water systems, cutting oils, nonprotein glues and sizings.

Application

Tris(hydroxymethyl)nitromethane is a bactericide and slimicide for use in cooling fluids, paper and pulp industry; as a curing agent for certain adhesives; viscositycontrolling agent in cosmetics.To inhibit bacterial growth in circulating industrial water systems, cutting oils, nonprotein glues and sizings.

Preparation

Tris(hydroxymethyl)nitromethane is prepared by the condensation of nitromethane and formaldehyde under basic conditions.

General Description

Tris(hydroxymethyl)nitromethane undergoes crosslinking with hexamethylene diisocyanate to form monolithic energetic gels. It is an effective hardener for variety of tannin-based adhesives.

Hazard

Moderate fire risk. Irritant to skin and eyes.

Purification Methods

Crystallise it from CHCl3/ethyl acetate or ethyl acetate/*benzene. It is an acid and a 0.1M solution in H2O has pH 4.5. IRRITANT. [Beilstein 1 H 520.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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