Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:89192
Structure
Similarity
Functional Group
Text
General Information
Structure
Loading...
Molecular Formula
C₁₁H₂₃I
Molecular Mass
282.20479
Exact Mass
282.08444874
Charge
0
InChI
InChI=1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey
FKUQOQPBCHJHAP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCI
Isomeric Smiles
ICCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8876677
LogD (pH = 7.4)
5.8876677
Log P
5.8876677
Molar Refractivity
65.6251
Polarizability
25.823547
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC name
•
IUPAC Traditional name
•
Synonyms
Registration numbers
•
PubChem SID
•
PubChem CID
•
MDL Number
•
CAS Number
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
PubChem
20276
Commercial Catalog
Apollo Scientific
OR4680
Sigma Aldrich
280046
TRC
I728800
Names and Identifiers
IUPAC name
1-iodoundecane
IUPAC Traditional name
1-iodoundecane
Synonyms
1-Iodoundecane
1-碘十一烷
1-Iodoundecane
Undecyl Iodide
Registration numbers
PubChem SID
162076075
24856923
PubChem CID
20276
MDL Number
MFCD00001087
CAS Number
4282-44-4
Molecule Details
Sigma Aldrich
280046
Packaging
50 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Physical Property
Flash Point
113°C
Source
113 °C
Source
235.4 °F
Source
Density
1.22
Source
1.22 g/mL at 25 °C(lit.)
Source
Boiling Point
125-130@5°C
Source
125-130 °C/5 mmHg(lit.)
Source
Refractive Index
n20/D 1.4849(lit.)
Source
Safety Information
Storage Warning
Irritant/Light Sensitive
Source
GHS Signal Word
Warning
Source
German water hazard class
3
Source
Risk Statements
36/37/38
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
Irritant (Xi)
P261
-
P305+P351+P338
Source
H315
-
H319
-
H335
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Download link
Source
Download link
Source
26
-
37/39
Source
Product Information
Purity
98%
Source
Linear Formula
CH3(CH2)10I
Source
Certificate of Analysis
Download link
Source
Source
European Hazard Symbols
GHS Precautionary statements
GHS Hazard statements
Personal Protective Equipment
MSDS Link
Safety Statements