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629-93-6 molecular structure
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1-iodooctadecane

ChemBase ID: 109311
Molecular Formular: C18H37I
Molecular Mass: 380.39085
Monoisotopic Mass: 380.19399918
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCI
Canonical SMILES:
CCCCCCCCCCCCCCCCCCI
InChI:
InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey:
ZNJOCVLVYVOUGB-UHFFFAOYSA-N

Cite this record

CBID:109311 http://www.chembase.cn/molecule-109311.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-iodooctadecane
IUPAC Traditional name
1-iodooctadecane
Synonyms
OCTADECYL IODIDE
Octadecyl iodide
1-Iodooctadecane
十八烷基碘
1-碘十八烷
CAS Number
629-93-6
EC Number
211-117-3
MDL Number
MFCD00001090
Beilstein Number
1755880
PubChem SID
162096144
24855173
PubChem CID
12402

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12402 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.999648  LogD (pH = 7.4) 8.999648 
Log P 8.999648  Molar Refractivity 97.8321 cm3
Polarizability 38.635494 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
33-35 °C(lit.) expand Show data source
Boiling Point
194-197 °C/2 mmHg(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)17I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210581 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 251984 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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