2-Ethyl-5-nitroaniline - CAS 20191-74-6
Catalog: |
BB015704 |
Product Name: |
2-Ethyl-5-nitroaniline |
CAS: |
20191-74-6 |
Synonyms: |
2-ethyl-5-nitroaniline; 2-ethyl-5-nitroaniline |
IUPAC Name: | 2-ethyl-5-nitroaniline |
Description: | 2-Ethyl-5-nitroaniline (CAS# 20191-74-6) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CCC1=C(C=C(C=C1)[N+](=O)[O-])N |
InChI: | InChI=1S/C8H10N2O2/c1-2-6-3-4-7(10(11)12)5-8(6)9/h3-5H,2,9H2,1H3 |
InChI Key: | MMZWMCKTKJKIMC-UHFFFAOYSA-N |
Boiling Point: | 335.3 °C at 760 mmHg |
Density: | 1.218 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00034056 |
LogP: | 2.84380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112538073-A | Preparation method of pazopanib intermediate | 20190923 |
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PMID | Publication Date | Title | Journal |
21582547 | 20090325 | 2-Ethyl-5-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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