Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate - CAS 91077-00-8
Catalog: |
BB040038 |
Product Name: |
Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate |
CAS: |
91077-00-8 |
Synonyms: |
Ethyl 3-amino-5-(4-nitrophenyl)-2-thiophenecarboxylate; 3-Amino-5-(4-nitrophenyl)-thiophen-2-ylcarboxylic acid ethyl ester; 2-Thiophenecarboxylic acid, 3-amino-5-(4-nitrophenyl)-, ethyl ester |
IUPAC Name: | ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate |
Molecular Weight: | 292.31 |
Molecular Formula: | C13H12N2O4S |
Canonical SMILES: | CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])N |
InChI: | InChI=1S/C13H12N2O4S/c1-2-19-13(16)12-10(14)7-11(20-12)8-3-5-9(6-4-8)15(17)18/h3-7H,2,14H2,1H3 |
InChI Key: | LUFNXFXZMZYAKC-UHFFFAOYSA-N |
Boiling Point: | 520.8±50.0°C at 760 Torr |
Melting Point: | 139-141°C |
Density: | 1.374±0.06 g/cm3 |
MDL: | MFCD00428274 |
LogP: | 4.18660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2011168556-A | Process for producing 5-aryl-3-amino-2-alkoxycarbonylthiophene compound | 20100222 |
Complexity: | 366 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.05177804 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.05177804 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 126 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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