4-Ethynylpyridine

HCID 642801CAS 2510-22-7

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Basic information

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, AldrichCPRorb3029710FDEDJRHULYIJOR-UHFFFAOYSA-N

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 Å²
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
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-36
WGK Germany: 3 · WGK 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

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