Nitrosobenzene - CAS 586-96-9
Catalog: |
BB030131 |
Product Name: |
Nitrosobenzene |
CAS: |
586-96-9 |
Synonyms: |
nitrosobenzene |
IUPAC Name: | nitrosobenzene |
Description: | Nitrosobenzene (CAS# 586-96-9) is a useful research chemical. It is used in the preparation of photoswitchable cannabinoid receptor tools. |
Molecular Weight: | 107.11 |
Molecular Formula: | C6H5NO |
Canonical SMILES: | C1=CC=C(C=C1)N=O |
InChI: | InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H |
InChI Key: | NLRKCXQQSUWLCH-UHFFFAOYSA-N |
Boiling Point: | 163.3 °C at 760 mmHg, 59 °C / 18 mmHg (lit.) |
Melting Point: | 65-69 °C (lit.) |
Purity: | > 98.0 % (GC) |
Density: | 1.04 g/cm3 |
Appearance: | Brown-bronze crystalline powder |
Storage: | 2-8 °C |
MDL: | MFCD00002059 |
LogP: | 2.08450 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113429355-A | Preparation method of phenazine compound | 20210730 |
CN-113264879-A | Quinolone structure-based light-operated ligand and application thereof | 20210527 |
CN-113264908-A | Preparation method of hydroxyl tetrahydrofuran compound | 20210526 |
CN-113248461-A | Preparation method of hydroxyl oxygen heterocyclic alkane derivative | 20210517 |
CN-113185768-A | AIE dots/organic polymer composite material based on azobenzene and application thereof | 20210422 |
PMID | Publication Date | Title | Journal |
22617940 | 20120704 | Gold-catalyzed isomerization of unactivated allenes into 1,3-dienes under ambient conditions | Chemical communications (Cambridge, England) |
22571797 | 20120605 | Effect of applied voltage, initial concentration, and natural organic matter on sequential reduction/oxidation of nitrobenzene by graphite electrodes | Environmental science & technology |
22365414 | 20120501 | Synthesis of nanoscale zero-valent iron/ordered mesoporous carbon for adsorption and synergistic reduction of nitrobenzene | Chemosphere |
22016069 | 20120114 | Asymmetric hydroxyamination of oxindoles catalyzed by chiral bifunctional tertiary amine thiourea: construction of 3-amino-2-oxindoles with quaternary stereocenters | Organic & biomolecular chemistry |
22113541 | 20120114 | Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles | Organic & biomolecular chemistry |
Complexity: | 76.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 107.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 107.037113783 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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