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3756-30-7 molecular structure
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3-iodo-2-methylprop-1-ene

ChemBase ID: 143489
Molecular Formular: C4H7I
Molecular Mass: 182.00285
Monoisotopic Mass: 181.95924822
SMILES and InChIs

SMILES:
CC(=C)CI
Canonical SMILES:
CC(=C)CI
InChI:
InChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3
InChIKey:
HVSJHYFLAANPJS-UHFFFAOYSA-N

Cite this record

CBID:143489 http://www.chembase.cn/molecule-143489.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-iodo-2-methylprop-1-ene
IUPAC Traditional name
3-iodo-2-methylprop-1-ene
Synonyms
Methallyl iodide
Methylallyl iodide
3-Iodo-2-methylpropene
CAS Number
3756-30-7
MDL Number
MFCD12026120
Beilstein Number
1098356
PubChem SID
162237708
PubChem CID
10877752

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
779601 external link Add to cart Please log in.
Data Source Data ID
PubChem 10877752 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4263988  LogD (pH = 7.4) 2.4263988 
Log P 2.4263988  Molar Refractivity 32.9892 cm3
Polarizability 12.910535 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)
Flash Point
46.4 °F expand Show data source
8 °C expand Show data source
Density
1.693 g/mL at 20 °C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
11-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314 expand Show data source
GHS Precautionary statements
P210-P280-P305 + P351 + P338-P310 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
Contains
copper as stabilizer expand Show data source
Empirical Formula (Hill Notation)
C4H7I expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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