trans-4-Methoxy-β-nitrostyrene - CAS 5576-97-6
Catalog: |
BB029171 |
Product Name: |
trans-4-Methoxy-β-nitrostyrene |
CAS: |
5576-97-6 |
Synonyms: |
1-methoxy-4-[(E)-2-nitroethenyl]benzene |
IUPAC Name: | 1-methoxy-4-[(E)-2-nitroethenyl]benzene |
Description: | trans-4-Methoxy-β-nitrostyrene (CAS# 5576-97-6) is a useful research chemical. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | COC1=CC=C(C=C1)C=C[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+ |
InChI Key: | JKQUXSHVQGBODD-VOTSOKGWSA-N |
Boiling Point: | 317 °C at 760 mmHg |
Melting Point: | 88 °C |
Density: | 1.189 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00024826 |
LogP: | 2.46580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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