Dichlorodiphenoxymethane - CAS 4885-03-4
Catalog: |
BB026604 |
Product Name: |
Dichlorodiphenoxymethane |
CAS: |
4885-03-4 |
Synonyms: |
Benzene, 1,1'-[(dichloromethylene)bis(oxy)]bis-; 1,1'-[(Dichloromethylene)bis(oxy)]bis[benzene]; Methane, dichlorodiphenoxy-; 1,1-Dichloro-1,1-diphenoxymethane; Phosgene diphenyl acetal; 1,1-Dichloro-1,1-diphenoxymethane |
IUPAC Name: | [dichloro(phenoxy)methoxy]benzene |
Molecular Weight: | 269.12 |
Molecular Formula: | C13H10Cl2O2 |
Canonical SMILES: | C1=CC=C(C=C1)OC(OC2=CC=CC=C2)(Cl)Cl |
InChI: | InChI=1S/C13H10Cl2O2/c14-13(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H |
InChI Key: | TVIUSKXXXZSVJU-UHFFFAOYSA-N |
Boiling Point: | 183-185°C at 12 Torr |
Melting Point: | 42-44°C |
Purity: | ≥95% |
Density: | 1.315±0.06 g/cm3 |
Appearance: | Powder or Crystalline |
Storage: | Store at RT |
MDL: | MFCD00087870 |
LogP: | 4.23330 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020276176-A1 | Compounds for targeting mutant huntingtin protein and uses thereof | 20190225 |
WO-2020176424-A1 | Compounds for targeting mutant huntingtin protein and uses thereof | 20190225 |
WO-2020153434-A1 | Pyrazole compound | 20190125 |
TW-202045506-A | Pyrazole compounds | 20190125 |
WO-2020153431-A1 | Ester compound | 20190124 |
PMID | Publication Date | Title | Journal |
21201386 | 20080104 | Dichloro-diphenoxy-methane | Acta crystallographica. Section E, Structure reports online |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.0057849 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.0057849 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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