Tris(hydroxymethyl)nitromethane CAS#126-11-4

Tris(hydroxymethyl)nitromethane Chemical Properties

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)

Safety Information

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.