Diethyl 2-(3,4-Dichlorophenyl)malonate - CAS 28751-26-0
Catalog: |
BB019939 |
Product Name: |
Diethyl 2-(3,4-Dichlorophenyl)malonate |
CAS: |
28751-26-0 |
Synonyms: |
2-(3,4-dichlorophenyl)propanedioic acid diethyl ester; diethyl 2-(3,4-dichlorophenyl)propanedioate |
IUPAC Name: | diethyl 2-(3,4-dichlorophenyl)propanedioate |
Description: | Diethyl 2-(3,4-Dichlorophenyl)malonate (CAS# 28751-26-0 ) is a useful research chemical. |
Molecular Weight: | 305.15 |
Molecular Formula: | C13H14Cl2O4 |
Canonical SMILES: | CCOC(=O)C(C1=CC(=C(C=C1)Cl)Cl)C(=O)OCC |
InChI: | InChI=1S/C13H14Cl2O4/c1-3-18-12(16)11(13(17)19-4-2)8-5-6-9(14)10(15)7-8/h5-7,11H,3-4H2,1-2H3 |
InChI Key: | GZSMDWSQPZMQDV-UHFFFAOYSA-N |
Boiling Point: | 359.1 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
LogP: | 3.20320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107266275-B | Compound containing monofluoromethyl, preparation method and application thereof | 20160330 |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.0269143 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.0269143 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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