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Name |
Phenylacetylene |
EINECS | 208-645-1 |
CAS No. | 536-74-3 | Density | 0.951 g/cm3 |
PSA | 0.00000 | LogP | 1.66790 |
Solubility | insoluble in water | Melting Point |
- 44.8 °C |
Formula | C8H6 | Boiling Point | 142.4 °C at 760 mmHg |
Molecular Weight | 102.136 | Flash Point | 31.111 °C |
Transport Information | UN 3295 3/PG 3 | Appearance | colourless liquid |
Safety | 16-26-36/37/39-45 | Risk Codes | 10-36/37/38-40-65 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1-Phenylethyne;Ethyne, phenyl-;NSC 4957;Ethynylbenzene;Phenylethyne; |
Article Data | 489 |
Conditions | Yield |
---|---|
With potassium tert-butylate | 100% |
With sodium hexamethyldisilazane In 1,2-dimethoxyethane at 20℃; for 1h; | 92% |
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 50℃; for 0.166667h; Schlenk technique; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) | 100% |
With [Au(DPB)SbF6]2(cod) In 1,2-dichloro-ethane at 20℃; for 24h; Inert atmosphere; | 24% |
With water at 120℃; im geschlossenen Rohr; |
phenylacetylene
Conditions | Yield |
---|---|
With triphenyl-arsane; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 1.5h; Rearrangement; reductive elimination; | 100% |
phenyllithium
A
1,4-diphenyl-1,3-butadiyne
B
diphenylselenide
C
2-(phenylethynyl)-1,1'-biphenyl
D
phenylacetylene
Conditions | Yield |
---|---|
In tetrahydrofuran; diethyl ether; cyclohexane at 20℃; for 3h; Substitution; Further byproducts given; | A 2% B 100% C 4% D 60% |
Conditions | Yield |
---|---|
With HCl In diethyl ether -28°C; | A 99% B 61% |
With HCl In diethyl ether -50°C; | A 99% B 68% |
With HCl In diethyl ether 20°C; | A 94% B 50% |
(1,2-dibromoethyl)benzene
phenylacetylene
Conditions | Yield |
---|---|
With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 80℃; for 1h; | 98% |
With sodium methylate In tetrahydrofuran Solvent; Reagent/catalyst; Reflux; | 97.5% |
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 25℃; for 0.5h; | 95% |
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 60℃; for 1h; | 98% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 1h; microwave irradiation; | 88% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.0166667h; microwave irradiation; | |
With potassium hydroxide In N,N-dimethyl-formamide at 120℃; for 12h; Solvent; |
Conditions | Yield |
---|---|
In tetrahydrofuran hydrolysis; | A 97.5% B 86.9% |
Conditions | Yield |
---|---|
With potassium trimethylsilonate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 6h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube; | 97% |
With potassium hydroxide | 95% |
With tetrabutyl ammonium fluoride In tetrahydrofuran for 0.5h; | 93% |
Conditions | Yield |
---|---|
In pentane at 20℃; for 0.166667h; | A 97% B n/a |
Ethynylbenzene (CAS NO.536-74-3) is also named as 1-Phenylethyne ; Acetylene, phenyl- ; acetylene,phenyl- ; Benzene, ethynyl- ; Benzene,ethynyl- ; Ethinylbenzene ; Ethyne, phenyl- ; ethyne,phenyl- ; Phenylacethylene ; Styrene trimer,and so on. Phenylacetylene(CAS NO.536-74-3) is colourless liquid.
CAS: 536-74-3
Molecular Formula: C8H6
Molecular Weight: 102.13
Molecular structure:
EINECS: 208-645-1
Melting point: -44.8 °C
Boiling point: 142-144 °C(lit.)
Density: 0.93 g/mL at 25 °C(lit.)
Vapor pressure: 17.6 mm Hg ( 37.7 °C)
Refractive index: n20/D 1.549(lit.)
Flash point: 88 °F
Storage temp.: 2-8°C
Water Solubility: Insoluble
Sensitive: Light Sensitive
BRN: 605461
Ethynylbenzene (CAS NO.536-74-3) is mainly used as pharmaceutical intermediates.
1. | ivn-mus LD50:100 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04866 . |
Reported in EPA TSCA Inventory.
Poison by intravenous route. Explosive reaction with perchloric acid above −78°C. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xn
Risk Statements: 10-36/37/38-40-65 (10: Flammable 36/37/38: Irritating to eyes, respiratory system and skin 40: Limited evidence of a carcinogenic effect 65: Harmful: May cause lung damage if swallowed)
Safety Statements: 16-26-36/37/39-45 (16: Keep away from sources of ignition - No smoking 26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR: UN 3295 3/PG 3
WGK Germany: 1
F: 8-19
HazardClass: 3
PackingGroup: III