Basic information
- CAS
1135-32-6- Standard SMILES
C(=C\c1ccncc1)/c1ccncc1- InChIKey
MGFJDEHFNMWYBD-OWOJBTEDSA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.08439832
Names & identifiers
- Preferred name
- Pyridine, 4,4'-(1E)-1,2-ethenediylbis-
- IUPAC
- 4-[(E)-2-pyridin-4-ylethenyl]pyridine
- English name
- 4,4'-Vinylenedipyridine
- Molecular formula
- C12H10N2
- Molecular weight
- 182.22
Names & synonyms
Show more names
Database identifiers
- CAS
1135-32-6、13362-78-2- PubChem CID
- 776222
- DTXSID
DTXSID201014763- ChEMBL
CHEMBL67033- EC Number
- 214-491-6、236-432-3
- Nikkaji
- J187.521C、J51.349K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 148 · 148-152 °C (lit.)
- Boiling point
- 334.1 · 334.1±11.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 5.5 · 5.50±0.26(Predicted)
- color
- Brown to Dark Brown
- BRN
- 3865 · 3865
- InChI
- InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+
- InChIKey
- MGFJDEHFNMWYBD-UPHRSURJSA-N
- SMILES
- C(/C1=CC=NC=C1)=C\C1=CC=NC=C1
- CAS DataBase Reference
- 13362 · 13362-78-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · Pyridine, 4,4'-(1,2-ethenediyl)bis-, (E)-(13362-78-2)
- EPA Substance Registry System
- -1 · trans-1,2-Bis(4-pyridyl)ethene (13362-78-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Description4,4'-Vinylenedipyridine belongs to dipyridine derivatives. It is used as a ligand in coordination chemistry for the preparation of a variety of organic compounds. It has also been used as a catalyst in polymer synthesis and as a reagent in peptide and peptidomimetic synthesis.
Usessuzuki reaction
Uses4,4''-Vinylenedipyridine (cas# 13362-78-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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