4-(2-Nitrovinyl)-1H-indole - CAS 49839-99-8
Catalog: |
BB053734 |
Product Name: |
4-(2-Nitrovinyl)-1H-indole |
CAS: |
49839-99-8 |
Synonyms: |
4-(2-NITROVINYL)-1H-INDOLE 99; 4-(2-Nitrovinyl)indole; 4-(2-NITROVINYL)-1H-INDOLE; 4-(2-Nitrovinyl)-1H-indole 99%; Indole-4-nitrylethylene |
IUPAC Name: | 4-[(E)-2-nitroethenyl]-1H-indole |
Molecular Weight: | 188.18 |
Molecular Formula: | C10H8N2O2 |
Canonical SMILES: | C1=CC(=C2C=CNC2=C1)C=C[N+](=O)[O-] |
InChI: | InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+ |
InChI Key: | DQVWAEMRCAYLKH-FNORWQNLSA-N |
Boiling Point: | 406.1±20.0 °C at 760 mmHg |
Melting Point: | 161-163°C |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Appearance: | Solid |
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: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 188.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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