924-16-3
Product Name:
N-Nitrosodibutylamine
Formula:
C8H18N2O
Synonyms:
N-Nitrosodibutylamine;Dibutyl nitrosamine;NDBA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | N-nitrosodi-n-butylamine is a pale yellow liquid. |
|---|---|
| Color/Form | Pale yellow liquid |
| Boiling Point | 235 °C |
| Solubility | In water, 1.27X10+3 mg/L at 24 °C |
| Density | 0.9009 at 20 °C/4 °C |
| Vapor Density | 0.9009 |
| Vapor Pressure | 0.04 [mmHg] |
| LogP | log Kow = 2.63 |
| Henry's Law Constant | Henry's Law constant = 1.32X10-5 atm-cu m/mol at 37 °C |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx). |
| Refractive Index | Index of refraction: 1.4475 at 20 °C/D; max absorption (water): 233 nm (epsilon= 441.7, 1%, 1 cm), 347 nm (epsilon= 5.6, 1%, 1 cm) |
| Kovats Retention Index | 1269 1251 |
| Other Experimental Properties | Can be easily split by hydrogen bromide in acetic acid |
| Chemical Classes | Nitrogen Compounds -> Nitrosamines |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H351:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 158.24 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.141913202 g/mol |
| Monoisotopic Mass | 158.141913202 g/mol |
| Topological Polar Surface Area | 32.7 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 88.1 |
| 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-nitrosodi-n-butylamine is a pale yellow liquid.