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Molecule
ID:8858
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₄I₂
Molecular Mass
329.9049
Exact Mass
329.84024613
Charge
0
InChI
InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
BBOLNFYSRZVALD-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1I
Isomeric Smiles
c1ccc(c(c1)I)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8311348
LogD (pH = 7.4)
3.8311348
Log P
3.8311348
Molar Refractivity
52.783
Polarizability
20.954763
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Physical Property
•
Product Information
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR8941
Matrix Scientific
004833
Sigma Aldrich
238112
Bide Pharmatech
BD34314
Alfa Aesar
B24425
A&J Pharmtech
AJA-O4723
AJA-O8280
Academic Data
PubChem
11994
Names and Identifiers
IUPAC Traditional name
1,2-diiodobenzene
Synonyms
1,2-Diiodobenzene 99%
1,2-Diiodobenzene
1,2-Diiodobenzene
1,2-二碘苯
1,2-二碘代苯
o-Diiodobenzene
IUPAC name
1,2-diiodobenzene
Registration numbers
EC Number
210-425-5
Beilstein Number
1855315
CAS Number
615-42-9
MDL Number
MFCD00001038
PubChem CID
11994
PubChem SID
160972165
24854292
Molecule Details
Sigma Aldrich
238112
Packaging
1, 10 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
Beilstein Number
•
CAS Number
•
MDL Number
•
PubChem CID
•
PubChem SID
Properties
Physical Property
Boiling Point
152°C/15mm
Source
282°C/15mm
Source
152 °C/15 mmHg(lit.)
Source
282°C
Source
Density
2.524
Source
2.524 g/mL at 25 °C(lit.)
Source
Refractive Index
1.7180
Source
1.7176
Source
n20/D 1.718(lit.)
Source
1.7165
Source
23.3-23.7°C
Source
>110°C
Source
113 °C
Source
235.4 °F
Source
>110°C(230°F)
Source
Product Information
98%
Source
97%
Source
C6H4I2
Source
Safety Information
true
Source
是
Source
IRRITANT
Source
Irritant/Corrosive/Air Sensitive/Light Sensitive/Store under Argon
Source
Light Sensitive
Source
Download link
Source
Download link
Source
GHS Signal Word
Danger
Source
GHS Precautionary statements
P261
-
P280
-
P305+P351+P338
Source
P280G-
P305+P351+P338
Source
GHS Hazard statements
H315
-
H318
-
H335
Source
H315
-
H319
Source
Risk Statements
37/38
-
41
Source
36/38
Source
Safety Statements
26
-
37/39
Source
26
-
37
Source
German water hazard class
3
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
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Storage Temperature
2-8°C
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
European Hazard Symbols
Irritant (Xi)
Source
Melting Point
Flash Point
Purity
Empirical Formula (Hill Notation)
TSCA Listed
Storage Warning
MSDS Link
Source