trans-2-Bromo-β-nitrostyrene - CAS 155988-33-3
Catalog: |
BB011188 |
Product Name: |
trans-2-Bromo-β-nitrostyrene |
CAS: |
155988-33-3 |
Synonyms: |
1-bromo-2-[(E)-2-nitroethenyl]benzene |
IUPAC Name: | 1-bromo-2-[(E)-2-nitroethenyl]benzene |
Description: | trans-2-Bromo-β-nitrostyrene (CAS# 155988-33-3) is a useful research chemical compound. |
Molecular Weight: | 228.04 |
Molecular Formula: | C8H6BrNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Br |
InChI: | InChI=1S/C8H6BrNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+ |
InChI Key: | QKFDNZXJABSGIO-AATRIKPKSA-N |
Boiling Point: | 314.2 ℃ at 760 mmHg |
Density: | 1.596 g/cm3 |
MDL: | MFCD01317567 |
LogP: | 3.21970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112409408-A | Chiral phosphorus sulfur compound and Michael addition method thereof | 20201118 |
US-2021047339-A1 | Method for preparation of asenapine | 20190813 |
WO-2021027813-A1 | Method of preparing asenapine | 20190813 |
PL-236522-B1 | The method of obtaining the (+) - asenapine isomer | 20190107 |
CN-107188771-B | Chiral synthesis method of gamma-nitrophenol compound | 20170525 |
PMID | Publication Date | Title | Journal |
22199975 | 20111201 | 1-Bromo-2-[(E)-2-nitro-ethen-yl]benzene | Acta crystallographica. Section E, Structure reports online |
17574419 | 20070815 | Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro | Bioorganic & medicinal chemistry letters |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 226.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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