Ethyl 3,5-dinitrobenzoate - CAS 618-71-3
Catalog: |
BB031301 |
Product Name: |
Ethyl 3,5-dinitrobenzoate |
CAS: |
618-71-3 |
Synonyms: |
ethyl 3,5-dinitrobenzoate |
IUPAC Name: | ethyl 3,5-dinitrobenzoate |
Description: | Ethyl 3,5-dinitrobenzoate (CAS# 618-71-3) is a useful research chemical. |
Molecular Weight: | 240.17 |
Molecular Formula: | C9H8N2O6 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3 |
InChI Key: | IBQREHJPMPCXQA-UHFFFAOYSA-N |
Boiling Point: | 367.1 ℃ at 760 mmHg |
Density: | 1.433 g/cm3 |
MDL: | MFCD00007232 |
LogP: | 2.72610 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107567464-B | Process for producing polydienes and polydiene copolymers having reduced cold flow properties | 20141007 |
EP-3204429-A1 | Method for producing polydienes and polydiene copolymers with reduced cold flow | 20141007 |
EP-3204429-B1 | Method for producing polydienes and polydiene copolymers with reduced cold flow | 20141007 |
JP-2017530244-A | Method for producing polydienes and polydiene copolymers having reduced cold flow | 20141007 |
US-10364300-B2 | Method for producing polydienes and polydiene copolymers with reduced cold flow | 20141007 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.03823598 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.03823598 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 118 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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