4,4'-DDOH - CAS 2642-82-2
Catalog: |
BB019278 |
Product Name: |
4,4'-DDOH |
CAS: |
2642-82-2 |
Synonyms: |
2,2-bis(4-chlorophenyl)ethanol |
IUPAC Name: | 2,2-bis(4-chlorophenyl)ethanol |
Description: | 4,4'-DDOH (CAS# 2642-82-2 ) is a useful research chemical. |
Molecular Weight: | 267.15 |
Molecular Formula: | C14H12Cl2O |
Canonical SMILES: | C1=CC(=CC=C1C(CO)C2=CC=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2 |
InChI Key: | ZVIDYKRNLNAXFT-UHFFFAOYSA-N |
Boiling Point: | 387.7 ℃ at 760 mmHg |
Melting Point: | 100-102 ℃(lit.) |
Purity: | 95 % |
Density: | 1.287 g/cm3 |
LogP: | 4.11760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
32278787 | 20200601 | Structure-based Identification of Endocrine Disrupting Pesticides Targeting Breast Cancer Proteins | Toxicology |
22045600 | 20120201 | Metabolism and distribution of p,p'-DDT during flight of the white-crowned sparrow, Zonotrichia leucophrys | Environmental toxicology and chemistry |
22122759 | 20120111 | Development and application of an indirect competitive enzyme-linked immunosorbent assay for the detection of p,p'-DDE in human milk and comparison of the results against GC-ECD | Journal of agricultural and food chemistry |
21380735 | 20111101 | Degradation of chlorinated pesticide DDT by litter-decomposing basidiomycetes | Biodegradation |
19043743 | 20090501 | The role of methadone in opioid rotation-a Polish experience | Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.0265204 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.0265204 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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