1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione - CAS 65897-66-7
Catalog: |
BB032851 |
Product Name: |
1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione |
CAS: |
65897-66-7 |
Synonyms: |
1-(5-chloro-2-hydroxyphenyl)butane-1,3-dione |
IUPAC Name: | 1-(5-chloro-2-hydroxyphenyl)butane-1,3-dione |
Description: | 1-(5-Chloro-2-hydroxyphenyl)-1,3-butanedione (CAS# 65897-66-7 ) is a useful research chemical. |
Molecular Weight: | 212.63 |
Molecular Formula: | C10H9ClO3 |
Canonical SMILES: | CC(=O)CC(=O)C1=C(C=CC(=C1)Cl)O |
InChI: | InChI=1S/C10H9ClO3/c1-6(12)4-10(14)8-5-7(11)2-3-9(8)13/h2-3,5,13H,4H2,1H3 |
InChI Key: | DPZZGIRQJCKZAU-UHFFFAOYSA-N |
Boiling Point: | 341.7 °C at 760 mmHg |
Density: | 1.316 g/cm3 |
MDL: | MFCD00235254 |
LogP: | 2.20740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013046054-A1 | High refractive index composition | 20100429 |
US-8883935-B2 | High refractive index composition | 20100429 |
US-2721143-A | 3-phenyl pyrazol compounds and preserved composition containing said compounds | 19501118 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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