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116195-81-4 molecular structure
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2,5-diiodopyridine

ChemBase ID: 144510
Molecular Formular: C5H3I2N
Molecular Mass: 330.89296
Monoisotopic Mass: 330.8354951
SMILES and InChIs

SMILES:
c1cc(ncc1I)I
Canonical SMILES:
Ic1ccc(cn1)I
InChI:
InChI=1S/C5H3I2N/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey:
YHWFCFIXXMXRBF-UHFFFAOYSA-N

Cite this record

CBID:144510 http://www.chembase.cn/molecule-144510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-diiodopyridine
IUPAC Traditional name
2,5-diiodopyridine
Synonyms
2,5-Diiodopyridine
2,5-Diiodopyridine
2,5-二碘吡啶
CAS Number
116195-81-4
EC Number
000-000-0
MDL Number
MFCD00234028
Beilstein Number
109261
PubChem SID
162238723
24883899
PubChem CID
4245240

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6460488  LogD (pH = 7.4) 2.64605 
Log P 2.64605  Molar Refractivity 50.3342 cm3
Polarizability 20.286339 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152-155 °C(lit.) expand Show data source
154-156°C expand Show data source
Storage Warning
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41-42/43 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36-45 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H318-H334-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P342 + P311 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H3I2N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 652733 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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