ChemicalBook--->CAS DataBase List--->126-11-4

126-11-4

126-11-4 Structure

126-11-4 Structure
IdentificationMore
[Name]

Tris(hydroxymethyl)nitromethane
[CAS]

126-11-4
[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
[EINECS(EC#)]

204-769-5
[Molecular Formula]

C4H9NO5
[MDL Number]

MFCD00007395
[Molecular Weight]

151.12
[MOL File]

126-11-4.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[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.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitromethane-->1-Nitropropan-2-ol-->2-Nitro-1,3-propanediol-->Methanol with formaldehyde-->1-Nitromethylcyclohexanol
[Preparation Products]

Tris(hydroxymethyl)aminomethane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Tris(hydroxymethyl)nitromethane(126-11-4).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Tris(hydroxymethyl)nitromethane(126-11-4)MS
Tris(hydroxymethyl)nitromethane(126-11-4)1HNMR
Tris(hydroxymethyl)nitromethane(126-11-4)13CNMR
Tris(hydroxymethyl)nitromethane(126-11-4)IR1
Tris(hydroxymethyl)nitromethane(126-11-4)IR2
Tris(hydroxymethyl)nitromethane(126-11-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Tris(hydroxymethyl)nitromethane, 95%(126-11-4)
[Sigma Aldrich]

126-11-4(sigmaaldrich)
[TCI AMERICA]

2-(Hydroxymethyl)-2-nitro-1,3-propanediol,>99.0%(GC)(126-11-4)
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