ChemicalBook CAS DataBase List Tris(hydroxymethyl)nitromethane

Tris(hydroxymethyl)nitromethane

Product NameTris(hydroxymethyl)nitromethane
CAS126-11-4
CBNumberCB8163079
MFC4H9NO5
MW151.12
EINECS204-769-5
MDL NumberMFCD00007395
MOL File126-11-4.mol
MSDS FileSDS

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
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
Henry's Law Constant	2.1×10⁶ mol/(m³Pa) at 25℃, HSDB (2015)
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)
EWG's Food Scores	1
FDA UNII	3E794G4ZRB
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)
UNSPSC Code	12352100
NACRES	NA.22

Safety

Symbol(GHS)

Signal word

Warning

Hazard statements

H302-H412

Precautionary statements

P264-P270-P273-P301+P312-P501

Hazard Codes

Risk Statements

22-36/37/38-20/21/22

Safety Statements

26-36

WGK Germany

RTECS

TY7350000

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.

NFPA 704:

	1
2		0