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26260-02-6 molecular structure
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2-iodobenzaldehyde

ChemBase ID: 10641
Molecular Formular: C7H5IO
Molecular Mass: 232.01847
Monoisotopic Mass: 231.93851278
SMILES and InChIs

SMILES:
c1ccc(c(c1)C=O)I
Canonical SMILES:
O=Cc1ccccc1I
InChI:
InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey:
WWKKTHALZAYYAI-UHFFFAOYSA-N

Cite this record

CBID:10641 http://www.chembase.cn/molecule-10641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodobenzaldehyde
IUPAC Traditional name
2-iodobenzaldehyde
o-iodobenzoyl
Synonyms
2-Iodobenzaldehyde
2-Iodobenzaldehyde
2-碘苯甲醛
CAS Number
26260-02-6
MDL Number
MFCD00039570
Beilstein Number
1927296
PubChem SID
24879145
160973948
PubChem CID
643439

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6146927  LogD (pH = 7.4) 2.6146927 
Log P 2.6146927  Molar Refractivity 46.0045 cm3
Polarizability 17.41749 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
36-37°C expand Show data source
36-37°C expand Show data source
36-39 °C(lit.) expand Show data source
37°C expand Show data source
Boiling Point
102°C/3mm expand Show data source
102°C/3mm expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
IRRITANT, AIR SENSITIVE, KEEP COLD expand Show data source
Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold 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
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
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
IC6H4CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202851 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 550779 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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