3-(3,5-Dichlorophenoxy)benzaldehyde - CAS 81028-92-4
Catalog: |
BB036600 |
Product Name: |
3-(3,5-Dichlorophenoxy)benzaldehyde |
CAS: |
81028-92-4 |
Synonyms: |
3-(3,5-dichlorophenoxy)benzaldehyde |
IUPAC Name: | 3-(3,5-dichlorophenoxy)benzaldehyde |
Description: | 3-(3,5-Dichlorophenoxy)benzaldehyde (CAS# 81028-92-4) is a useful research chemical. |
Molecular Weight: | 267.11 |
Molecular Formula: | C13H8Cl2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)OC2=CC(=CC(=C2)Cl)Cl)C=O |
InChI: | InChI=1S/C13H8Cl2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-2-9(4-12)8-16/h1-8H |
InChI Key: | BISWHYILBVQCRA-UHFFFAOYSA-N |
Boiling Point: | 125 °C0.03 mmHg (lit.) |
Melting Point: | 48-55 °C (lit.) |
Purity: | 95 % |
Density: | 1.365 g/cm3 |
MDL: | MFCD00003355 |
LogP: | 4.59820 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2794620-B1 | Bodipy structure fluorescence probes for diverse biological applications | 20111222 |
US-2014359794-A1 | Bodipy structure fluorescence probes for diverse biological applications | 20111222 |
US-9423396-B2 | Bodipy structure fluorescence probes for diverse biological applications | 20111222 |
WO-2013095305-A1 | Bodipy structure fluorescence probes for diverse biological applications | 20111222 |
US-2014121213-A1 | Voltage-gated sodium channel blockers | 20110706 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.9901349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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