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1927-94-2 molecular structure
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3-chloro-2-hydroxybenzaldehyde

ChemBase ID: 91319
Molecular Formular: C7H5ClO2
Molecular Mass: 156.5664
Monoisotopic Mass: 155.99780708
SMILES and InChIs

SMILES:
O=Cc1c(c(ccc1)Cl)O
Canonical SMILES:
O=Cc1cccc(c1O)Cl
InChI:
InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H
InChIKey:
DOHOPUBZLWVZMZ-UHFFFAOYSA-N

Cite this record

CBID:91319 http://www.chembase.cn/molecule-91319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-hydroxybenzaldehyde
IUPAC Traditional name
3-chloro-2-hydroxybenzaldehyde
Synonyms
3-Chloro-2-hydroxybenzaldehyde
3-Chloro-2-hydroxybenzaldehyde2-Chloro-6-formylphenol
3-Chlorosalicylaldehyde
3-Chlor-2-hydroxybenzaldehyd
3-Chlorsalicylaldehyd
3-Chlorosalicylaldehyde
3-Chloro-2-hydroxybenzaldehyde
3-氯水杨醛
3-氯-2-羟基苯甲醛
CAS Number
1927-94-2
MDL Number
MFCD04973581
PubChem SID
162078023
24885174
PubChem CID
519651

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.905893  H Acceptors
H Donor LogD (pH = 5.5) 2.6196406 
LogD (pH = 7.4) 2.032595  Log P 2.6362276 
Molar Refractivity 39.4277 cm3 Polarizability 14.759332 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
42-44°C expand Show data source
52 - 54°C expand Show data source
52-56 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Hydrophobicity(logP)
2.337 expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C7H5ClO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 673722 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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