1116-54-7
Product Name:
N-NITROSODIETHANOLAMINE
Formula:
C4H10N2O3
Synonyms:
N,N-Diethanolnitrosamine;2,2′-(Nitrosoimino)bisethanol;Bis(2-hydroxyethyl)nitrosamine;NDELA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. (NTP, 1992) |
|---|---|
| Color/Form | Light yellow oil |
| Odor | Odorless |
| Boiling Point | 237 °F at 1.5 mmHg (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992) |
| Density | 1.28 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.0005 [mmHg] |
| Stability/Shelf Life | Stable at room temperature for more than 14 days in neutral or alkaline aqueous solutions in the dark; slightly less stable in acidic soln; light sensitive, especially to UV light. |
| Decomposition | When heated to decomposition it emits toxic fumes of /oxides of nitrogen/. |
| Viscosity | Highly viscous |
| Refractive Index | Max absorption (water): 234 nm (E= 470.7); 345 nm (Log E= 5.3); index of refraction: 1.4540 @ 20 °C/D |
| Other Experimental Properties | Decomposition at approximately 200 °C at 14 mm Hg |
| Chemical Classes | Nitrogen Compounds -> Nitrosamines |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 134.13 g/mol |
|---|---|
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 134.06914219 g/mol |
| Monoisotopic Mass | 134.06914219 g/mol |
| Topological Polar Surface Area | 73.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 72.2 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-nitrosodiethanolamine is a yellow to dark brown very viscous liquid with no distinct odor. (NTP, 1992)