2-Nitrosotoluene - CAS 611-23-4
Catalog: |
BB030962 |
Product Name: |
2-Nitrosotoluene |
CAS: |
611-23-4 |
Synonyms: |
1-methyl-2-nitrosobenzene |
IUPAC Name: | 1-methyl-2-nitrosobenzene |
Description: | 2-Nitrosotoluene (CAS# 611-23-4) is a mucolytic. Erdosteine was developed for the treatment of chronic obstructive bronchitis. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | CC1=CC=CC=C1N=O |
InChI: | InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3 |
InChI Key: | TWLBRQVYXPMCFK-UHFFFAOYSA-N |
Boiling Point: | 199.9 °C at 760 mmHg |
Density: | 1.03 g/cm3 |
Appearance: | White to grey solid |
LogP: | 2.39290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21432561 | 20100901 | DNA damage and estrogenic activity induced by the environmental pollutant 2-nitrotoluene and its metabolite | Environmental health and preventive medicine |
19887514 | 20100101 | Monocyclic aromatic amines as potential human carcinogens: old is new again | Carcinogenesis |
18759501 | 20081001 | Human arylamine N-acetyltransferase 1: in vitro and intracellular inactivation by nitrosoarene metabolites of toxic and carcinogenic arylamines | Chemical research in toxicology |
15797239 | 20050415 | Cyclopropylamine inactivation of cytochromes P450: role of metabolic intermediate complexes | Archives of biochemistry and biophysics |
15070376 | 20040414 | Photochemical reaction mechanisms of 2-nitrobenzyl compounds: methyl ethers and caged ATP | Journal of the American Chemical Society |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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