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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10821Generated: October 23, 2026

Phenylacetylene

https://huagongshe.com/en/chemical/10821

Phenylacetylene molecular structure

Identifiers & Physical Properties

CAS No.28213-80-1
Molecular formulaC8H6
Average molar mass102.13 g/mol
Monoisotopic mass102.04695019 g/mol
SMILESC#Cc1ccccc1
InChIKeyUEXCJVNBTNXOEH-UHFFFAOYSA-N
PubChem CID10821
ChEMBLCHEMBL234833
ChEBICHEBI:167069
EC No.208-645-1
DTXSIDDTXSID1060211

Chemical & Physical Properties

XLogP2.5
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds1
Heavy atoms8
Formal charge0
Complexity98
Melting point-44.8 °C
Boiling point142°C
Density0.94
ColorOil
GHS pictogramGHS02,GHS07,GHS08
Signal wordDanger
GHS hazard statementsH226-H315-H319-H335-H350
GHS precautionary statementsP202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313
ToxicityLD50 ivn-mus: 100 mg/kg CSLNX* NX#04866

Safety & Regulations

ToxicityLD50 ivn-mus: 100 mg/kg CSLNX* NX#04866
Signal wordDanger
GHS pictogramGHS02,GHS07,GHS08
GHS hazard statementsH226-H315-H319-H335-H350
GHS precautionary statementsP202-P210-P233-P303+P361+P353-P305+P351+P338-P308+P313