Basic information
- CAS
1945-84-2- Standard SMILES
C#Cc1ccccn1- InChIKey
NHUBNHMFXQNNMV-UHFFFAOYSA-N- Molecular formula
- C7H5N
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.04219916
Overview
structure in first source
Names & identifiers
- Preferred name
- Ethynylpyridine
- IUPAC
- 2-ethynylpyridine
- English name
- 2-Ethynylpyridine
- Molecular formula
- C7H5N
- Molecular weight
- 103.12
Names & synonyms
EthynylpyridineRefChem:870212-ethynylpyridine1945-84-22-Ethynyl pyridinepyridine, 2-ethynyl-2-PyridylacetylenePyridine, ethynyl-MFCD00041598ethynyl pyridine2-ethynyl-pyridineortho-ethynylpyridine
Show more names
2-EthynyLp-EthylnylpyridineTIMTEC-BB SBB0066192-ETHYLNYL PYRIDINE2-Pyridinylacetylene2-Ethynylpyridine>
2-(ethynyl)pyridineSCHEMBL211092CHEMBL5201133AKOS008901246CS-W002197PB17077E0340EN300-96035
Database identifiers
- CAS
1945-84-2- PubChem CID
- 137268
- DTXSID
DTXSID40173085- ChEMBL
CHEMBL5201133- EC Number
- 628-748-9
- Nikkaji
- J208.488K
Properties
Computed structural properties
- XLogP
- 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
- 109
Physicochemical properties
- Melting point
- 77 · 77-78 C
- Boiling point
- 85 °C/12 · 85 °C/12 mmHg (lit.)
- Density
- 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- Flash point
- 170 °F · 170 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 2.31 · 2.31±0.12(Predicted)
- Specific Gravity
- 1.021 · 1.021
- color
- Clear dark brown
- Water Solubility
- Soluble in water.
- BRN
- 1098904 · 1098904
- InChI
- InChI=1S/C7H5N/c1-2-7-5-3-4-6-8-7/h1,3-6H
- InChIKey
- NHUBNHMFXQNNMV-UHFFFAOYSA-N
- SMILES
- C1(C#C)=NC=CC=C1
- CAS DataBase Reference
- 1945 · 1945-84-2(CAS DataBase Reference)
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 46 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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-ETHYNYLPYRIDINE is a useful research chemical.
Uses2-Ethynylpyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
General Description2-Ethynylpyridine is a pyridine derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
166 records
Compound notes
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