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107-08-4 molecular structure
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1-iodopropane

ChemBase ID: 89072
Molecular Formular: C3H7I
Molecular Mass: 169.99215
Monoisotopic Mass: 169.95924822
SMILES and InChIs

SMILES:
ICCC
Canonical SMILES:
CCCI
InChI:
InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3
InChIKey:
PVWOIHVRPOBWPI-UHFFFAOYSA-N

Cite this record

CBID:89072 http://www.chembase.cn/molecule-89072.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-iodopropane
IUPAC Traditional name
iodopropane
1-iodopropane
Synonyms
Propyl iodide
1-Iodopropane
N-Propyl iodide
1-Iodopropane
n-Propyl iodide
丙基碘
1-碘丙烷
CAS Number
107-08-4
EC Number
203-460-2
MDL Number
MFCD00001095
Beilstein Number
505937
Merck Index
147862
PubChem SID
162075958
24850389
PubChem CID
33643
Chemspider ID
31029
Wikipedia Title
N-Propyl_iodide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.331118  LogD (pH = 7.4) 2.331118 
Log P 2.331118  Molar Refractivity 28.8171 cm3
Polarizability 11.387639 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
1.1 g L-1 (at 20 °C) in water 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
-101 °C(lit.) expand Show data source
-101°C expand Show data source
-101.40°C (171.75K) expand Show data source
-101°C expand Show data source
Boiling Point
101.55 - 103.15°C (374.7 - 376.3 K) expand Show data source
101-102 °C(lit.) expand Show data source
101-102°C expand Show data source
101-102°C expand Show data source
Flash Point
111.2 °F expand Show data source
112 °F expand Show data source
44 °C expand Show data source
44°C expand Show data source
44°C(111°F) expand Show data source
Density
1.221 g/ml expand Show data source
1.743 expand Show data source
1.743 g mL-1 expand Show data source
1.743 g/mL at 25 °C(lit.) expand Show data source
1.744 expand Show data source
Refractive Index
1.5050 expand Show data source
1.5051 expand Show data source
n20/D 1.504(lit.) expand Show data source
n20/D 1.505 expand Show data source
Vapor Pressure
43 mmHg ( 25 °C) expand Show data source
5.733 kPa expand Show data source
Henry Constant
1.2 μmol Pa-1 kg-1 expand Show data source
Viscosity
7.438 mPa (at 20 °C) expand Show data source
Heat Capacity
136.2 J K-1 mol-1 expand Show data source
Std enthalpy of formation
-687–-627 kJ mol-1 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Flammable/Irritant expand Show data source
Light Sensitive expand Show data source
RTECS
TZ4100000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X 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
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
Risk Statements
10-20-36/37/38-52/53 expand Show data source
10-20-52/53 expand Show data source
R10, R20, R36/37/38 R52/53 expand Show data source
Safety Statements
16-26-36/37-61 expand Show data source
26-61 expand Show data source
9-36-60-61 expand Show data source
S26 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
WARNNG expand Show data source
Warning expand Show data source
LD50
>1.8 g kg-1 (oral, mouse) expand Show data source
297 mg kg-1 (intraperitoneal, mouse) expand Show data source
300 mg kg-1 (intravenous, mouse) expand Show data source
595 mg kg-1 (intraperitoneal, guinea pig) expand Show data source
650 mg kg-1 (intraperitoneal, rat) expand Show data source
GHS Hazard statements
226, 302, 315, 319, 332, 335 expand Show data source
H226-H302 + H332-H315-H319-H335-H412 expand Show data source
H226-H332-H402-H412 expand Show data source
GHS Precautionary statements
261, 305+351+338 expand Show data source
P210-P241-P261-P303+P361+P353-P403+P235-P501A expand Show data source
P261-P273-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
(GC) expand Show data source
~99% expand Show data source
≥98.0% (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
Contains
copper as stabilizer expand Show data source
silver wool as stabilizer expand Show data source
Linear Formula
CH3CH2CH2I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155066 external link
Purity: 99% This item is stabilized with copper. 1 ml = approx. 1.74 g
Apollo Scientific Ltd - OR4541 external link
Stabilised with copper
Sigma Aldrich - 171883 external link
Packaging
5, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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