Home > Compound List > Compound details
2314-36-5 molecular structure
click picture or here to close

3,5-dichloro-4-hydroxybenzaldehyde

ChemBase ID: 71009
Molecular Formular: C7H4Cl2O2
Molecular Mass: 191.01146
Monoisotopic Mass: 189.95883473
SMILES and InChIs

SMILES:
C(=O)c1cc(c(c(c1)Cl)O)Cl
Canonical SMILES:
O=Cc1cc(Cl)c(c(c1)Cl)O
InChI:
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey:
LIYGCLJYTHRBQV-UHFFFAOYSA-N

Cite this record

CBID:71009 http://www.chembase.cn/molecule-71009.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloro-4-hydroxybenzaldehyde
IUPAC Traditional name
3,5-dichloro-4-hydroxybenzaldehyde
Synonyms
3,5-Dichloro-4-hydroxybenzaldehyde
2,6-Dichloro-4-formylphenol
CAS Number
2314-36-5
MDL Number
MFCD00017605
PubChem SID
162036715
PubChem CID
16839

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 16.729061 Å3 Polar Surface Area 37.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 4.37421  H Acceptors
H Donor LogD (pH = 5.5) 1.4824463 
LogD (pH = 7.4) 0.58738554  Log P 2.5902722 
Molar Refractivity 44.2325 cm3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
156-158°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle