Basic information
- CAS
1121-55-7- Standard SMILES
C=Cc1cccnc1- InChIKey
DPZYLEIWHTWHCU-UHFFFAOYSA-N- Molecular formula
- C7H7N
- Average molar mass
- 105.14 g/mol
- Monoisotopic mass
- 105.05784922
Overview
3-vinylpyridine has been reported in Nicotiana tabacum and Arctostaphylos uva-ursi with data available.
Names & identifiers
- Preferred name
- 3-Vinylpyridine
- IUPAC
- 3-ethenylpyridine
- English name
- 3-Vinylpyridine
- Molecular formula
- C7H7N
- Molecular weight
- 105.14
Names & synonyms
3-Vinylpyridine1121-55-73-EthenylpyridinePyridine, 3-ethenyl-R9ZU09Z27ADTXSID90149912RefChem:95506DTXCID8072403678-338-9Pyridine, 3-vinyl-3-vinyl-pyridineMFCD02178019
Show more names
AURORA KA-18373-Ethenyl-pyridin3-Vinylpyridine (>3-Vinylpyridine (>90%)3-Vinylpyridine,98% (stabilized with TBC)
3-Vinylpyridine (>90%)UNII-R9ZU09Z27AAI3-182093-VINYL PYRIDINE3-Vinylpyridine (stabilised with TBC)3-Vinylpyridine (Stabilized With Tbc)CHEMBL5421059SCHEMBL12305238
Database identifiers
- CAS
1121-55-7- PubChem CID
- 14272
- DTXSID
DTXSID90149912- ChEMBL
CHEMBL5421059- UNII
- R9ZU09Z27A
- EC Number
- 678-338-9
- Nikkaji
- J100.785H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 126 ℃ · 126℃
- Boiling point
- 82 °C · 82 °C / 32mmHg
- Density
- 0.98 · 0.98
- refractive index
- 1.553 · 1.5530 (589.3 nm 20℃)
- Flash point
- 50.9 · 50.9±10.9℃
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Practically insoluble in water
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- clear liquid
- pka
- 4.86 · 4.86±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- Sensitive
- Stench
- Merck
- 14 · 14,3730
- Stability
- Light and air sensitive, Light And Air Sensitive
- CAS DataBase Reference
- 1121 · 1121-55-7(CAS DataBase Reference)
- FDA UNII
- 9 ZU09Z27A · R9ZU09Z27A
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301-H310-H314-H317-H335-H411
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P260-P262-P264-P270-P271-P272-P273-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P391-P403+P233
- Hazard Codes
- T
- RIDADR
- 3073 · 3073
- Hazard Note
- Toxic/Stench
- HazardClass
- 6.1 · 6.1/3, 8
- PackingGroup
- II
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (80%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (80%)
Safety data
- ridadr
- 3073
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06,GHS07,GHS09
- hazard_code
- T
- hazard_note
- Toxic/Stench
- hazard_class
- 6.1/3, 8
- packing_group
- II
- Hazard statements
- H226-H301-H310-H314-H317-H335-H411
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P260-P262-P264-P270-P271-P272-P273-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P391-P403+P233
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Vinylpyridine is a known thirdhand smoke metabolite of Nicotine.
Applications
Uses3-Vinylpyridine is one of the compounds containing carbon-carbon double bonds (C=C) and can be used as a pharmaceutical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers93 total
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Related reactions
13 records
Compound notes
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