Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:10643
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇H₅IO
Molecular Mass
232.01847
Exact Mass
231.93851278
Charge
0
InChI
InChI=1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
NIEBHDXUIJSHSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)I
Isomeric Smiles
O=Cc1ccc(I)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6146927
LogD (pH = 7.4)
2.6146927
Log P
2.6146927
Molar Refractivity
46.0045
Polarizability
17.413862
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC name
•
IUPAC Traditional name
•
Synonyms
Registration numbers
Properties
•
Physical Property
•
Product Information
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Matrix Scientific
007492
Key Organics
BB-0825
Sigma Aldrich
263826
Alfa Aesar
L17448
Bide Pharmatech
BD4431
Chemik
CHB18596
A&J Pharmtech
AJA-O6638
Academic Data
PubChem
96657
Names and Identifiers
IUPAC name
4-iodobenzaldehyde
IUPAC Traditional name
4-iodobenzaldehyde
Synonyms
4-Iodobenzaldehyde
4-iodobenzenecarbaldehyde
4-Iodobenzaldehyde
4-碘苯甲醛
Registration numbers
MDL Number
MFCD00039576
PubChem SID
24855886
160973950
CAS Number
15164-44-0
Beilstein Number
636101
PubChem CID
96657
Molecule Details
Sigma Aldrich
263826
Packaging
1 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
PubChem SID
•
CAS Number
•
Beilstein Number
•
PubChem CID
Properties
Physical Property
Melting Point
76-78°C
Source
77 - 79 °C
Source
78-82 °C(lit.)
Source
76-78°C
Source
Product Information
Purity
97%
Source
>95%
Source
96%
Source
98%
Source
98+%
Source
IC6H4CHO
Source
Safety Information
Download link
Source
Download link
Source
IRRITANT, AIR SENSITIVE, KEEP COLD
Source
Air & Light Sensitive
Source
false
Source
否
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Storage Temperature
2-8°C
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
GHS Signal Word
Warning
Source
Safety Statements
26
-
36
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36/37/38
Source
German water hazard class
3
Source
Linear Formula
MSDS Link
Storage Warning
TSCA Listed