2-Methyl-5-nitroindoline - CAS 115210-54-3
Catalog: |
BB003509 |
Product Name: |
2-Methyl-5-nitroindoline |
CAS: |
115210-54-3 |
Synonyms: |
2-methyl-5-nitro-2,3-dihydro-1H-indole |
IUPAC Name: | 2-methyl-5-nitro-2,3-dihydro-1H-indole |
Description: | 2-Methyl-5-nitroindoline (CAS# 115210-54-3) is a useful research chemical. |
Molecular Weight: | 178.19 |
Molecular Formula: | C9H10N2O2 |
Canonical SMILES: | CC1CC2=C(N1)C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-3,5-6,10H,4H2,1H3 |
InChI Key: | JVOZJSSFSXFDAU-UHFFFAOYSA-N |
Boiling Point: | 322.5 °C at 760 mmHg |
Melting Point: | 51-54 °C (lit.) |
Purity: | 95 % |
Density: | 1.217 g/cm3 |
MDL: | MFCD00460685 |
LogP: | 2.61250 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-103880728-B | A kind of method preparing di-indole methyl hydride compounds | 20140321 |
CN-103180294-A | Diamine, polyimide precursor, polyimide, liquid-crystal alignment material, liquid-crystal alignment film, and liquid-crystal display element | 20100831 |
CN-103180294-B | Diamines, polyimide precursor, polyimide, liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display device | 20100831 |
JP-2016029058-A | Polyimide precursor, polyimide, liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element | 20100831 |
JP-5839200-B2 | Diamine | 20100831 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Indolines
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