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| CAS No.: | 536-74-3 |
|---|---|
| Name: | Phenylacetylene |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6 |
| Molecular Weight: | 102.136 |
| Synonyms: | 1-Phenylethyne;Ethyne, phenyl-;NSC 4957;Ethynylbenzene;Phenylethyne; |
| EINECS: | 208-645-1 |
| Density: | 0.951 g/cm3 |
| Melting Point: | - 44.8 °C |
| Boiling Point: | 142.4 °C at 760 mmHg |
| Flash Point: | 31.111 °C |
| Solubility: | insoluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-36/37/38-40-65 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 3295 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 1.66790 |
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| 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; |
- 536-74-3
phenylacetylene
| Conditions | Yield |
|---|---|
| With triphenyl-arsane; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 1.5h; Rearrangement; reductive elimination; | 100% |
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phenyllithium
A
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1,4-diphenyl-1,3-butadiyne
B
- 1132-39-4
diphenylselenide
C
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2-(phenylethynyl)-1,1'-biphenyl
D
- 536-74-3
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% |
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(1,2-dibromoethyl)benzene
- 536-74-3
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 |
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- Total:32 Page 1 of 1 1
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Chemistry
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
Uses
Ethynylbenzene (CAS NO.536-74-3) is mainly used as pharmaceutical intermediates.
Toxicity Data With Reference
| 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 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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
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