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32024-15-0 molecular structure
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3-iodo-4,5-dimethoxybenzaldehyde

ChemBase ID: 82121
Molecular Formular: C9H9IO3
Molecular Mass: 292.07043
Monoisotopic Mass: 291.95964215
SMILES and InChIs

SMILES:
O=Cc1cc(c(c(c1)I)OC)OC
Canonical SMILES:
COc1cc(C=O)cc(c1OC)I
InChI:
InChI=1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3
InChIKey:
MVPNBXPAUYYZAF-UHFFFAOYSA-N

Cite this record

CBID:82121 http://www.chembase.cn/molecule-82121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-iodo-4,5-dimethoxybenzaldehyde
IUPAC Traditional name
3-iodo-4,5-dimethoxybenzaldehyde
Synonyms
4,5-Dimethoxy-3-iodobenzaldehyde
3-Iodo-4,5-dimethoxybenzaldehyde
3-Iodo-4,5-dimethoxybenzaldehyde
5-Iodoveratraldehyde
4,5-Dimethoxy-3-iodobenzaldehyde
3-iodo-4,5-dimethoxybenzaldehyde
4,5-二甲氧基-3-碘苯甲醛
CAS Number
32024-15-0
EC Number
000-000-0
MDL Number
MFCD00674091
Beilstein Number
1961757
PubChem SID
24870143
162069240
PubChem CID
2778113

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.29935  LogD (pH = 7.4) 2.29935 
Log P 2.29935  Molar Refractivity 58.9309 cm3
Polarizability 22.555561 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-65°C expand Show data source
68 - 70°C expand Show data source
69-72 °C(lit.) expand Show data source
Hydrophobicity(logP)
2.309 expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-36-60 expand Show data source
TSCA Listed
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
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
IC6H2(OCH3)2CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 464147 external link
Packaging
2.5, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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