CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 179.5 |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity H372:Specific target organ toxicity, repeated exposure H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 128.14 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.063412132 g/mol |
| Monoisotopic Mass | 128.063412132 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 102 |
| Isotope Atom Count | 5 |
| 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
Nitrobenzene-d5 is a deuterated compound, a nitroarene and a C-nitro compound.