3,5-Dichlorosalicylaldehyde - CAS 90-60-8
Catalog: |
BB039905 |
Product Name: |
3,5-Dichlorosalicylaldehyde |
CAS: |
90-60-8 |
Synonyms: |
3,5-dichloro-2-hydroxybenzaldehyde |
IUPAC Name: | 3,5-dichloro-2-hydroxybenzaldehyde |
Description: | 3,5-Dichlorosalicylaldehyde (CAS# 90-60-8) is a useful research chemical. |
Molecular Weight: | 191.01 |
Molecular Formula: | C7H4Cl2O2 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)C=O)Cl |
InChI: | InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H |
InChI Key: | FABVMBDCVAJXMB-UHFFFAOYSA-N |
Boiling Point: | 236.7 °C at 760 mmHg |
Melting Point: | 95-97 °C (lit.) |
Purity: | 95 % |
Density: | 1.547 g/cm3 |
Appearance: | Pale yellow crystalline powder |
MDL: | MFCD00003320 |
LogP: | 2.51150 |
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 |
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PMID | Publication Date | Title | Journal |
22589912 | 20120401 | N'-(3,5-Dichloro-2-hy-droxy-benzyl-idene)-4-(dimethyl-amino)-benzohydrazide methanol monosolvate | Acta crystallographica. Section E, Structure reports online |
22259428 | 20120101 | 4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hy-droxy-benzyl-idene]amino}-2,2-dimethyl-prop-yl)imino]-meth-yl}phenol | Acta crystallographica. Section E, Structure reports online |
22219837 | 20111101 | Bis[2,4-dichloro-6-(ethyl-imino-meth-yl)phenolato-κN,O]nickel(II) | Acta crystallographica. Section E, Structure reports online |
21837171 | 20110701 | (E)-N'-(3,5-Dichloro-2-hy-droxy-benzyl-idene)-2-meth-oxy-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
21588354 | 20100717 | 2-(1H-Benzimidazol-2-yl)-4,6-dichloro-phenol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9588348 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9588348 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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