Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:89803
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₇H₁₅I
Molecular Mass
226.09847
Exact Mass
226.02184848
Charge
0
InChI
InChI=1S/C7H15I/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChIKey
LMHCYRULPLGEEZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCI
Isomeric Smiles
ICCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1093926
LogD (pH = 7.4)
4.1093926
Log P
4.1093926
Molar Refractivity
47.2211
Polarizability
18.55608
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
InterBioScreen
BB_SC-9408
Sigma Aldrich
177857
Enamine
EN300-19791
Apollo Scientific
OR5427
Bide Pharmatech
BD33669
Alfa Aesar
B24206
Academic Data
PubChem
20274
Names and Identifiers
Synonyms
Heptyl iodide
1-Iodoheptane
n-Heptyl iodide
正碘庚烷
1-碘庚烷
1-Iodoheptane
IUPAC name
1-iodoheptane
IUPAC Traditional name
1-iodoheptane
Registration numbers
MDL Number
MFCD00001104
CAS Number
4282-40-0
EC Number
224-285-8
Beilstein Number
1697161
PubChem SID
24850696
162076659
PubChem CID
20274
Molecule Details
Sigma Aldrich
177857
Packaging
50 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
CAS Number
•
EC Number
•
Beilstein Number
•
PubChem SID
•
PubChem CID
Properties
Physical Property
Refractive Index
1.49
Source
n20/D 1.490(lit.)
Source
1.4900
Source
Melting Point
-48°C
Source
-48 °C(lit.)
Source
-49 - -48°C
Source
-48°C
Source
Density
1.379
Source
1.379 g/mL at 25 °C(lit.)
Source
Boiling Point
204°C
Source
204 °C(lit.)
Source
203-205°C
Source
Flash Point
78°C
Source
168.8 °F
Source
76 °C
Source
78°C(174°F)
Source
Hydrophobicity(logP)
4.64
Source
Safety Information
Storage Warning
Irritant
Source
Light Sensitive
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Irritant (Xi)
Download link
Source
P261
-
P305+P351+P338
Source
P210
-
P305+P351+P338
-
P302+P352
-
P321
-
P405
-P501A
Source
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
3
Source
36/37/38
Source
Warning
Source
H315
-
H319
-
H335
Source
H315
-
H319
-
H335
-
H227
Source
26
-
36
Source
26
-
37
Source
是
Source
MJ1050000
Source
Product Information
Linear Formula
CH3(CH2)6I
Source
Purity
98%
Source
95%
Source
95+%
Source
98%, stab. with copper
Source
Source
European Hazard Symbols
MSDS Link
GHS Precautionary statements
Personal Protective Equipment
German water hazard class
Risk Statements
GHS Signal Word
GHS Hazard statements
Safety Statements
TSCA Listed
RTECS