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Details

Stereochemistry ACHIRAL
Molecular Formula C4H9NO5
Molecular Weight 151.118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIS(HYDROXYMETHYL)NITROMETHANE

SMILES

OCC(CO)(CO)[N+]([O-])=O

InChI

InChIKey=OLQJQHSAWMFDJE-UHFFFAOYSA-N
InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2

HIDE SMILES / InChI
Molecular Formula C4H9NO5
Molecular Weight 151.118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Tris(hydroxymethyl)nitromethane, is as an intermediate in organic synthesis, pharmaceuticals, agrochemicals.

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Formaldehyde-releasers: relationship to formaldehyde contact allergy. Part 2: Metalworking fluids and remainder.
2010-09
Efficient synthesis of a peculiar vicinal diamine semiochemical from Streptomyces natalensis.
2010-08-06
Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols.
2010-02
Patents

Patents

08222277
7
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:12:23 GMT 2025
Edited
by admin
on Mon Mar 31 19:12:23 GMT 2025
Record UNII
3E794G4ZRB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIS-HYDROXYMETHYLNITROMETHANE
INCI  
INCI  
Preferred Name English
TRIS(HYDROXYMETHYL)NITROMETHANE
MI  
Systematic Name English
TRIS HYDROXYMETHYL NITROMETHANE
Systematic Name English
2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPANEDIOL
Systematic Name English
TRIS(HYDROXYMETHYL)NITROMETHANE [MI]
Common Name English
2-NITRO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
Systematic Name English
NSC-17675
Code English
TRIMETHYLOLNITROMETHANE
Systematic Name English
1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-NITRO
Common Name English
2-HYDROXYMETHYL-2-NITRO-1,3-PROPANEDIOL [HSDB]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 83902
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
Code System Code Type Description
CAS
126-11-4
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-769-5
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
HSDB
6810
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
PUBCHEM
31337
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID8027034
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
MERCK INDEX
m11199
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY Merck Index
MESH
C036540
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
NSC
17675
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
FDA UNII
3E794G4ZRB
Created by admin on Mon Mar 31 19:12:23 GMT 2025 , Edited by admin on Mon Mar 31 19:12:23 GMT 2025
PRIMARY
Related Record Type Details
Structure of TRIS(HYDROXYMETHYL)NITROMETHANE
ACTIVE MOIETY
NIH
NCATS
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