Diethyl (3-chloropropyl)malonate - CAS 18719-43-2
Catalog: |
BB014404 |
Product Name: |
Diethyl (3-chloropropyl)malonate |
CAS: |
18719-43-2 |
Synonyms: |
diethyl 2-(3-chloropropyl)propanedioate |
IUPAC Name: | diethyl 2-(3-chloropropyl)propanedioate |
Description: | Diethyl (3-chloropropyl)malonate (CAS# 18719-43-2 ) is a useful research chemical. |
Molecular Weight: | 236.69 |
Molecular Formula: | C10H17ClO4 |
Canonical SMILES: | CCOC(=O)C(CCCCl)C(=O)OCC |
InChI: | InChI=1S/C10H17ClO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-7H2,1-2H3 |
InChI Key: | WUOPYKKJFZHTRA-UHFFFAOYSA-N |
Boiling Point: | 136 ℃ (5 torr) |
Purity: | 95 % |
Density: | 1.101 g/cm3 |
Appearance: | Clear to pale yellow liquid |
MDL: | MFCD00009169 |
LogP: | 1.74780 |
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 |
CA-2953669-A1 | Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
US-10364208-B2 | Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
US-2018186721-A1 | Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
EP-3353157-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
US-2018304247-A1 | Far superior oxidation catalysts based on macrocyclic compounds | 20150925 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0815367 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0815367 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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