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Molecule
ID:79314
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₃I
Molecular Mass
212.07189
Exact Mass
212.00619842
Charge
0
InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
ANOOTOPTCJRUPK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCI
Isomeric Smiles
ICCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.664824
LogD (pH = 7.4)
3.664824
Log P
3.664824
Molar Refractivity
42.6201
Polarizability
16.751045
Polar Surface Area
0.0
Rotatable Bonds
4
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
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Academic Data
Names and Identifiers
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IUPAC name
•
IUPAC Traditional name
•
Synonyms
Registration numbers
Properties
•
Safety Information
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Product Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
•
Apollo Scientific
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05211561
InterBioScreen
BB_SC-7033
Apollo Scientific
OR2177
Sigma Aldrich
238287
TRC
I706530
Alfa Aesar
A13784
Academic Data
PubChem
12527
Names and Identifiers
IUPAC name
1-iodohexane
IUPAC Traditional name
1-iodohexane
Synonyms
n-HEXYL IODIDE
Hexyl iodide
1-Iodohexane
NSC 9251
n-Hexyl Iodide
1-Hexyl Iodide
1-碘己烷
1-Iodohexane
1-Iodo-n-hexane
己基碘
Registration numbers
PubChem SID
162044077
24854154
PubChem CID
12527
CAS Number
638-45-9
Beilstein Number
505971
MDL Number
MFCD00001102
EC Number
211-339-0
Molecule Details
MP Biomedicals
05211561
MP Biomedicals Rare Chemical collection
Apollo Scientific
OR2177
Stabilised with copper wire
Sigma Aldrich
238287
Packaging
25, 100 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
PubChem CID
•
CAS Number
•
Beilstein Number
•
MDL Number
•
EC Number
Properties
Safety Information
Storage Warning
Harmful/Heat Sensitive/Light Sensitive/Air Sensitive/Store under Nitrogen
Source
Light Sensitive
Source
European Hazard Symbols
Irritant (Xi)
Source
Nature polluting (N)
Harmful (Xn)
S:
20
-
25
-
26
-
37/39
Source
26
-
36/37/39
-
61
Source
Download link
Source
Download link
Source
Download link
Source
R:
36/37/38
Source
22
-
37/38
-
41
-
51/53
Source
36/37/38
Source
UN 3082 9/PG 3
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
H302
-
H315
-
H318
-
H335
Source
H315
-
H319
-
H335
-
H227
Source
2
Source
Danger
Source
3082
Source
3
Source
P261
-
P280
-
P305+P351+P338
Source
P210
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
9
Source
MO3855000
Source
是
Source
Product Information
Download link
Source
Download link
Source
CH3(CH2)5I
Source
copper as stabilizer
Source
≥98%
Source
Physical Property
179°C
Source
179-180 °C(lit.)
Source
179-181°C
Source
141.8 °F
Source
61 °C
Source
61°C(141°F)
Source
n20/D 1.492(lit.)
Source
Source
Source
26
-
37
Source
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
Source
98%, stab. with copper
Source
1.4920
Source
Density
1.437 g/mL at 25 °C(lit.)
Source
1.437
Source
Melting Point
-75°C
Source
Safety Statements
MSDS Link
Risk Statements
RID/ADR
GHS Pictograms
Personal Protective Equipment
GHS Hazard statements
German water hazard class
GHS Signal Word
UN Number
Packing Group
GHS Precautionary statements
Hazard Class
RTECS
TSCA Listed
Certificate of Analysis
Linear Formula
Contains
Purity
Boiling Point
Flash Point
Refractive Index