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Substance Name: Ethynylbenzene
RN: 536-74-3
UNII: 239WSR2IBO
InChIKey: UEXCJVNBTNXOEH-UHFFFAOYSA-N

Note

  • Can polymerize into DENDRIMERS.

Molecular Formula

  • C8-H6

Molecular Weight

  • 102.135
 
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Names and Synonyms

Name of Substance

  • Ethynylbenzene
  • Phenylacetylene

Synonyms

  • 1-Phenylethyne
  • Acetylene, phenyl-
  • AI3-24180
  • EINECS 208-645-1
  • Ethyne, phenyl-
  • Ethynylbenzene
  • NSC 4957
  • Phenylacetylene
  • Phenylacetylide
  • Phenylethyne
  • UNII-239WSR2IBO

Systematic Names

  • Benzene, ethynyl-
  • Phenylacetylene

Registry Numbers

CAS Registry Number

  • 536-74-3

FDA UNII

  • 239WSR2IBO

Other Registry Number

  • 1401716-44-6

System Generated Number

  • 0000536743

Structure Descriptors

InChI

1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H

InChIKey

UEXCJVNBTNXOEH-UHFFFAOYSA-N

Smiles

c1(ccccc1)C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04866,
rat LDLo oral 10mL/kg (10mL/kg) BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.48E+01 deg C   EXP
Boiling Point 143 deg C   EXP
log P (octanol-water) 2.53 (none)   EXP
Water Solubility 456 mg/L 25 EXP
Vapor Pressure 2.06 mm Hg 25 EXP
Henry's Law Constant 6.07E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.02E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.