2-Nitrophenethyl bromide - CAS 16793-89-8
Catalog: |
BB012432 |
Product Name: |
2-Nitrophenethyl bromide |
CAS: |
16793-89-8 |
Synonyms: |
1-(2-bromoethyl)-2-nitrobenzene |
IUPAC Name: | 1-(2-bromoethyl)-2-nitrobenzene |
Description: | 2-Nitrophenethyl bromide (CAS# 16793-89-8) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CCBr)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2 |
InChI Key: | SJLIPOVZERLCNL-UHFFFAOYSA-N |
Boiling Point: | 127-130 °C / 1 mmHg |
Melting Point: | 34-38 °C |
Purity: | 95 % |
Density: | 1.562 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD06800159 |
LogP: | 3.05540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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US-10000452-B1 | Quinolone-based compounds, formulations, and uses thereof | 20160122 |
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Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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