CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear light yellow liquid; [Sigma-Aldrich MSDS] |
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Kovats Retention Index | 179.5 |
Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.