622-42-4
Product Name:
(NITROMETHYL)BENZENE
Formula:
C7H7NO2
Synonyms:
Nitromethylbenzene;Phenylnitromethane
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1152 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 137.14 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 137.047678466 g/mol |
Monoisotopic Mass | 137.047678466 g/mol |
Topological Polar Surface Area | 45.8 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 113 |
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 |