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513-38-2 molecular structure
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513-38-2 molecular structure
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1-iodo-2-methylpropane

ChemBase ID: 79480
Molecular Formular: C4H9I
Molecular Mass: 184.01873
Monoisotopic Mass: 183.97489829
SMILES and InChIs

SMILES:
 ICC(C)C
Canonical SMILES:
 ICC(C)C
InChI:
 InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey:
 BTUGGGLMQBJCBN-UHFFFAOYSA-N

Cite this record

CBID:79480 http://www.chembase.cn/molecule-79480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-iodo-2-methylpropane
IUPAC Traditional name
1-iodo-2-methylpropane
Synonyms
Isobutyl iodide
1-Iodo-2-methylpropane
1-Iodo-2-methylpropane
ISOBUTYL IODIDE
异丁基碘
1-碘-2-甲基丙烷
CAS Number
513-38-2
EC Number
208-160-5
MDL Number
MFCD00001084
Beilstein Number
1730927
Merck Index
145144
PubChem SID
162044243
24881098
24854698
PubChem CID
10556

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 244732 external link Add to cart 58560 external link Add to cart
MP Biomedicals 05215493 external link Add to cart
Alfa Aesar A15883 external link Add to cart
Apollo Scientific OR2195 external link Add to cart
InterBioScreen BB_SC-6912 external link Add to cart
PubChem 10556 external link
Data Source Data ID Price
Sigma Aldrich
244732 external link Add to cart Please log in.
58560 external link Add to cart Please log in.
MP Biomedicals
05215493 external link Add to cart Please log in.
Alfa Aesar
A15883 external link Add to cart Please log in.
Apollo Scientific
OR2195 external link Add to cart Please log in.
InterBioScreen
BB_SC-6912 external link Add to cart Please log in.
Data Source Data ID
PubChem 10556 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 0  H Donor 0 
LogD (pH = 5.5) 2.696091  LogD (pH = 7.4) 2.696091 
Log P 2.696091  Molar Refractivity 33.2887 cm3
Polarizability 13.164616 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 1  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-93°C expand Show data source
Boiling Point
120-121 °C(lit.) expand Show data source
120-121°C expand Show data source
Flash Point
12°C(53°F) expand Show data source
13 °C expand Show data source
55 °F expand Show data source
55.4 °F expand Show data source
Density
1.599 expand Show data source
1.599 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4960 expand Show data source
n20/D 1.496 expand Show data source
n20/D 1.496(lit.) expand Show data source
Vapor Pressure
20 mmHg ( 20 °C) expand Show data source
Vapor Density
6 (vs air) expand Show data source
Storage Warning
Irritant/Flammable/Light Sensitive expand Show data source
Light Sensitive expand Show data source
RTECS
TZ4250000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2391 expand Show data source
UN2391 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-20-36/37/38 expand Show data source
11-20-36/37/38-53 expand Show data source
11-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
16-26-36 expand Show data source
7/9-26-33-36/37-60 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H331-H335 expand Show data source
H225-H332-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2391 3/PG 2 expand Show data source
Purity
≥95.0% (GC) expand Show data source
97% expand Show data source
98%, stab. with copper expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
~3% tert-butyliodide expand Show data source
Contains
copper as stabilizer expand Show data source
silver wool as stabilizer expand Show data source
Linear Formula
(CH3)2CHCH2I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215493 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - OR2195 external link
Stabilised with copper
Sigma Aldrich - 244732 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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