1-Bromo-3,5-dinitrobenzene - CAS 18242-39-2
Catalog: |
BB013985 |
Product Name: |
1-Bromo-3,5-dinitrobenzene |
CAS: |
18242-39-2 |
Synonyms: |
1-bromo-3,5-dinitrobenzene; 1-bromo-3,5-dinitrobenzene |
IUPAC Name: | 1-bromo-3,5-dinitrobenzene |
Description: | 1-Bromo-3,5-dinitrobenzene (CAS# 18242-39-2) is a useful research chemical. |
Molecular Weight: | 247.00 |
Molecular Formula: | C6H3BrN2O4 |
Canonical SMILES: | C1=C(C=C(C=C1[N+](=O)[O-])Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H3BrN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H |
InChI Key: | OLDMYNWXIGPOCI-UHFFFAOYSA-N |
Boiling Point: | 309.3 °C at 760 mmHg |
Density: | 1.91 g/cm3 |
MDL: | MFCD00156596 |
LogP: | 3.31190 |
GHS Hazard Statement: | H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112094260-A | H2S near-infrared fluorescent molecular probe and preparation method and application thereof | 20200928 |
CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 20191104 |
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PMID | Publication Date | Title | Journal |
21583870 | 20090418 | 3,3',5,5'-Tetra-nitro-biphen-yl | Acta crystallographica. Section E, Structure reports online |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.92762 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.92762 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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