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Molecule
ID:89863
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₉H₁₉I
Molecular Mass
254.15163
Exact Mass
254.05314861
Charge
0
InChI
InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
OGSJMFCWOUHXHN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCI
Isomeric Smiles
ICCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.99853
LogD (pH = 7.4)
4.99853
Log P
4.99853
Molar Refractivity
56.4231
Polarizability
22.18215
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
MP Biomedicals
•
Sigma Aldrich
•
Apollo Scientific
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05205535
InterBioScreen
BB_SC-6636
Sigma Aldrich
251860
Apollo Scientific
OR5499
Alfa Aesar
A10667
Bide Pharmatech
BD59139
Academic Data
PubChem
20275
Names and Identifiers
IUPAC Traditional name
iodononane
Synonyms
1-iodononane
Nonyl iodide
1-Iodononane
碘壬烷
1-碘壬烷
n-NONYL IODIDE
1-Iodononane
Nonyl iodide
n-Nonyl iodide
IUPAC name
1-iodononane
Registration numbers
CAS Number
4282-42-2
MDL Number
MFCD00001107
EC Number
224-286-3
PubChem SID
24855162
162076718
PubChem CID
20275
Beilstein Number
1733634
Molecule Details
MP Biomedicals
05205535
MP Biomedicals Rare Chemical collection
Sigma Aldrich
251860
Packaging
25 g in glass bottle
Apollo Scientific
OR5499
Stabilised with copper wire
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
MDL Number
•
EC Number
•
PubChem SID
•
PubChem CID
•
Beilstein Number
Properties
Physical Property
Flash Point
85°C
Source
85 °C
Source
185 °F
Source
85°C(185°F)
Source
Boiling Point
106-108°C/8mm
Source
107-108 °C/8 mmHg(lit.)
Source
107-108°C/8mm
Source
Density
1.288
Source
1.288 g/mL at 25 °C(lit.)
Source
1.286
Source
Refractive Index
1.487
Source
n20/D 1.487(lit.)
Source
1.4870
Source
Safety Information
Storage Warning
Irritant/Light Sensitive/Keep Cold
Source
Light Sensitive
Source
European Hazard Symbols
Irritant (Xi)
Source
Download link
Source
Download link
Source
R:
36/37/38
Source
36/37/38
Source
S:
20
-
25
-
26
-
37/39
Source
26
-
36/37/39
Source
26
-
37
P261
-
P305+P351+P338
Source
P210
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
H315
-
H319
-
H335
Source
H315
-
H319
-
H335
-
H227
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
3
Source
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
Warning
Source
是
Source
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
CH3(CH2)8I
Source
Purity
95%
Source
95+%
Source
97%, stab. with copper
Source
Contains
copper as stabilizer
Source
Source
Source
MSDS Link
Risk Statements
Safety Statements
GHS Precautionary statements
GHS Hazard statements
Personal Protective Equipment
German water hazard class
GHS Pictograms
GHS Signal Word
TSCA Listed