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Substance Name: 2-Hydroxymethyl-2-nitro-1,3-propanediol
RN: 126-11-4
UNII: 3E794G4ZRB
InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N
Note
- Formaldehyde-releasing cutting oil biocide implicated in allergic contact dermatitis.
Molecular Formula
- C4-H9-N-O5
Molecular Weight
- 151.117
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
- 2-(Hydroxymethyl)-2 nitro-1,3-propanediol
- 2-(Hydroxymethyl)-2-nitro-1,3-propanediol
- 2-Hydroxymethyl-2-nitro-1,3-propanediol
- 2-Nitro-2-(hydroxymethyl)-1,3-propanediol
- Trimethylolnitromethane
- Tris(hydroxymethyl)nitromethane
Synonyms
- 1,1,1-Tris(hydroxymethyl)nitromethane
- 2-(Hydroxymethyl)-2-nitro-1,3-propanediol
- 2-(Hydroxymethyl)-2-nitropropanediol
- 2-Hydroxymethyl-2-nitropropane-1,3-diol
- 2-Nitro-2-(hydroxymethyl)-1,3-propanediol
- AI3-02259
- Caswell No. 495
- Cimcool wafers
- EINECS 204-769-5
- EPA Pesticide Chemical Code 083902
- HSDB 6810
- Isobutylglycerol, nitro-
- Methane, trimethylolnitro-
- Nitroisobutylglycerol
- Nitrotris(hydroxymethyl)methane
- NSC 17675
- Trihydroxymethylnitromethane
- Trimethylolnitromethane
- Tris nitro
- Tris(hydroxymethyl)nitromethane
- UNII-3E794G4ZRB
Systematic Names
- 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
- Nitromethylidynetrimethanol
Superlist Names
- 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-
- 2-(Hydroxymethyl)-2-nitro-1,3-propanediol
Registry Numbers
CAS Registry Number
- 126-11-4
FDA UNII
- 3E794G4ZRB
System Generated Number
- 0000126114
Structure Descriptors
InChI
1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2InChIKey
OLQJQHSAWMFDJE-UHFFFAOYSA-NSmiles
C([N+](=O)Toxicity
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) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) 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. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 165 | deg C | EXP | |
log P (octanol-water) | -1.660 | (none) | EST | |
Water Solubility | 2.20E+06 | mg/L | 20 | EXP |
Vapor Pressure | 1.54E-06 | mm Hg | 25 | EST |
Henry's Law Constant | 4.82E-12 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.92E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.