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75-30-9 molecular structure
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2-iodopropane

ChemBase ID: 89071
Molecular Formular: C3H7I
Molecular Mass: 169.99215
Monoisotopic Mass: 169.95924822
SMILES and InChIs

SMILES:
IC(C)C
Canonical SMILES:
CC(I)C
InChI:
InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3
InChIKey:
FMKOJHQHASLBPH-UHFFFAOYSA-N

Cite this record

CBID:89071 http://www.chembase.cn/molecule-89071.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-iodopropane
IUPAC Traditional name
2-iodopropane
Synonyms
2-Iodopropane
Isopropyl iodide
2-Iodopropane
Isopropyl iodide
2-IODOPROPANE
n-PROPYL IODIDE
异丙基碘
2-碘丙烷
CAS Number
75-30-9
107-08-4
EC Number
200-859-3
203-460-2
MDL Number
MFCD00001071
Beilstein Number
1098244
Merck Index
145214
PubChem SID
24848923
24881578
162075957
PubChem CID
6362
Chemspider ID
6122
MeSH Name
isopropyl+iodide
Wikipedia Title
Isopropyl_iodide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1213927  LogD (pH = 7.4) 2.1213927 
Log P 2.1213927  Molar Refractivity 28.7611 cm3
Polarizability 11.389769 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)
Solubility
1.4 g L-1 (at 12.5 °C) in water expand Show data source
Miscible in benzene expand Show data source
Miscible in chloroform expand Show data source
Miscible in diethyl ether expand Show data source
Miscible in ethanol expand Show data source
Apperance
Colourless liquid expand Show data source
Melting Point
-90 °C(lit.) expand Show data source
-90°C expand Show data source
-90.00°C (183.15K) expand Show data source
-90°C expand Show data source
Boiling Point
88.75 - 89.75°C (361.9 - 362.9 K) expand Show data source
88-90 °C(lit.) expand Show data source
88-90°C expand Show data source
88-90°C expand Show data source
Flash Point
107.6 °F expand Show data source
42 °C expand Show data source
42°C expand Show data source
42.2°C expand Show data source
42°C(107°F) expand Show data source
Density
1.701 expand Show data source
1.703 expand Show data source
1.703 g mL-1 expand Show data source
1.703 g/mL at 25 °C(lit.) expand Show data source
1.703g/ml expand Show data source
Refractive Index
1.4982 expand Show data source
1.4997 expand Show data source
n20/D 1.498 expand Show data source
n20/D 1.498(lit.) expand Show data source
Henry Constant
890 nmol Pa-1 kg-1 expand Show data source
Viscosity
6.971 mPa (at 20 °C) expand Show data source
Heat Capacity
137.3 J K-1 mol-1 expand Show data source
Std enthalpy of formation
-77.2–-72.6 kJ mol-1 expand Show data source
Storage Condition
Room Temperature (15-30°C), Protect from light expand Show data source
Storage Warning
Flammable/Harmful/Air Sensitive/Light Sensitive/Store under Argon expand Show data source
Light Sensitive expand Show data source
RTECS
TZ4100000 expand Show data source
TZ4200000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2392 expand Show data source
UN2392 expand Show data source
MSDS Link
Download expand Show data source
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
3 expand Show data source
III expand Show data source
Australian Hazchem
2Y expand Show data source
Risk Statements
10-22 expand Show data source
10-36/37/38 expand Show data source
R:10 expand Show data source
R10, R22 expand Show data source
Safety Statements
26-37 expand Show data source
36/37 expand Show data source
S:9-16-29 expand Show data source
S36/37 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
129 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS exclamation mark expand Show data source
GHS flame expand Show data source
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
WARNING expand Show data source
Warning expand Show data source
GHS Hazard statements
226, 302 expand Show data source
H226-H302 expand Show data source
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 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 2392 3/PG 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
98+%, stab. with copper expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Contains
copper as stabilizer expand Show data source
silver wool as stabilizer expand Show data source
Linear Formula
(CH3)2CHI expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155067 external link
(Isopropyl iodide) This item is stabilized with copper. 1 ml = approx. 1.70 g POSSIBLE CARCINOGEN!
Apollo Scientific Ltd - OR4540 external link
Stabilised with copper
Sigma Aldrich - 148938 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • The ring-opening of cyclic thionocarbonates followed by reductive elimination with zinc to give alkenes provides an alternative to the Corey-Winter desulfurization method (see Triethyl phosphite, L00339): Tetrahedron Lett., 3793 (1973).
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PATENTS

PATENTS

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INTERNET

INTERNET

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