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60274-60-4 molecular structure
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1-chloro-5-iodopentane

ChemBase ID: 86233
Molecular Formular: C5H10ClI
Molecular Mass: 232.49037
Monoisotopic Mass: 231.951576
SMILES and InChIs

SMILES:
ICCCCCCl
Canonical SMILES:
ClCCCCCI
InChI:
InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2
InChIKey:
GUUHKOCYWBEGGX-UHFFFAOYSA-N

Cite this record

CBID:86233 http://www.chembase.cn/molecule-86233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-5-iodopentane
IUPAC Traditional name
1-chloro-5-iodopentane
Synonyms
5-Chloropentyl iodide
5-Iodopentyl chloride
1-Chloro-5-iodopentane
Pentamethylene chloroiodide
1-Chloro-5-iodopentane
1-氯-5-碘戊烷
CAS Number
60274-60-4
EC Number
262-137-4
MDL Number
MFCD00039416
Beilstein Number
1732342
PubChem SID
162073349
24874215
PubChem CID
108914

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1381688  LogD (pH = 7.4) 3.1381688 
Log P 3.1381688  Molar Refractivity 42.9988 cm3
Polarizability 16.906538 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
75-77°C/3mm expand Show data source
75-77°C/4mm expand Show data source
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>110°C(230°F) expand Show data source
>230 °F expand Show data source
Density
1.663 expand Show data source
Refractive Index
1.5305 expand Show data source
Storage Warning
Irritant/Light Sensitive/Keep Cold expand Show data source
Light Sensitive 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
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
I(CH2)5Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202176 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 521590 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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