4-Ethynylpyridine
Basic information
- CAS
2510-22-7- Standard SMILES
C#Cc1ccncc1- InChIKey
FDEDJRHULYIJOR-UHFFFAOYSA-N- Molecular formula
- C7H5N
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.04219916
Names & identifiers
- Preferred name
- 4-Ethynylpyridine
- IUPAC
- 4-ethynylpyridine
- English name
- 4-Ethynylpyridine
- Molecular formula
- C7H5N
- Molecular weight
- 103.12
Names & synonyms
4-ethynylpyridine2510-22-7pyridine, 4-ethynyl-DTXSID60349063RefChem:98935DTXCID20300135631-027-1InChI=1/C7H5N/c1-2-7-3-5-8-6-4-7/h1,3-64-PyridylacetyleneMFCD04038420CHEMBL45478904-ethynyl pyridine
Show more names
4-Ethynylpyridine>(Pyridin-4-yl)acetylene4-pyridylacetylene, 95%min4-Ethynylpyridine - [E10312]4-Ethynylpyridine ISO 9001：2015 REACHPyridine, 4-ethynyl- (6CI, 7CI, 8CI, 9CI)
4-ethynyl-pyridineSCHEMBL139430SCHEMBL208798SCHEMBL208976SCHEMBL4443864-Ethynylpyridine, AldrichCPRorb3029710Fr21293
Database identifiers
- CAS
2510-22-7- PubChem CID
- 642801
- DTXSID
DTXSID60349063- ChEMBL
CHEMBL4547890- EC Number
- 631-027-1
- Nikkaji
- J772.089K
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 103
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 94.5 °C · 94.5 °C(Press: 32 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- almost transparency in Acetone
- form
- powder to crystal
- pka
- 4.16 · 4.16±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C7H5N/c1-2-7-3-5-8-6-4-7/h1,3-6H
- InChIKey
- FDEDJRHULYIJOR-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C#C)=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 42 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
21 records
Compound notes
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