Ethyl 7-nitroindole-2-carboxylate - CAS 6960-46-9
Catalog: |
BB046727 |
Product Name: |
Ethyl 7-nitroindole-2-carboxylate |
CAS: |
6960-46-9 |
Synonyms: |
7-Nitro-1H-indole-2-carboxylic Acid Ethyl Ester; 7-Nitro-indole-2-carboxylic Acid Ethyl Ester; NSC 69878; Ethyl-7-nitro-1H-indole-2-carboxylate; 1h-indole-2-carboxylic acid, 7-nitro-, ethyl ester; 2-Carbethoxy-7-nitroindole |
IUPAC Name: | ethyl 7-nitro-1H-indole-2-carboxylate |
Description: | Ethyl 7-nitroindole-2-carboxylate (CAS# 6960-46-9 ) is a useful research chemical. |
Molecular Weight: | 234.21 |
Molecular Formula: | C11H10N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H10N2O4/c1-2-17-11(14)8-6-7-4-3-5-9(13(15)16)10(7)12-8/h3-6,12H,2H2,1H3 |
InChI Key: | GTZAIVBXGPLYGD-UHFFFAOYSA-N |
Boiling Point: | 429.5 °C at 760 mmHg |
Melting Point: | 90-96 °C |
Purity: | ≥ 95 % |
Density: | 1.393 g/cm3 |
Appearance: | Yellow to brown powder |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0640568 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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