4-Chloro-3-formyl-6-methylcoumarin - CAS 51069-84-2
Catalog: |
BB027317 |
Product Name: |
4-Chloro-3-formyl-6-methylcoumarin |
CAS: |
51069-84-2 |
Synonyms: |
4-chloro-6-methyl-2-oxochromene-3-carbaldehyde |
IUPAC Name: | 4-chloro-6-methyl-2-oxochromene-3-carbaldehyde |
Description: | 4-Chloro-3-formyl-6-methylcoumarin (CAS# 51069-84-2 ) is a useful research chemical. |
Molecular Weight: | 222.62 |
Molecular Formula: | C11H7ClO3 |
Canonical SMILES: | CC1=CC2=C(C=C1)OC(=O)C(=C2Cl)C=O |
InChI: | InChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(14)15-9/h2-5H,1H3 |
InChI Key: | HXSVKJZDKJJYAF-UHFFFAOYSA-N |
Boiling Point: | 384.1 ℃ at 760 mmHg |
Melting Point: | 130-134 ℃(lit.) |
Purity: | 95 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD02683799 |
LogP: | 2.56730 |
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 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
KR-101085970-B1 | Composition for preventing or treating gastrointestinal diseases, containing coumarin derivative as an active ingredient | 20081125 |
KR-20100059036-A | Composition for preventing or treating gastrointestinal diseases, containing coumarin derivative as an active ingredient | 20081125 |
US-2007254915-A1 | Cxcr4 modulators | 20060330 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0083718 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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