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| CAS No.: | 6746-94-7 |
|---|---|
| Name: | Cyclopropyl acetylene |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6 |
| Molecular Weight: | 66.1026 |
| Synonyms: | Acetylene,cyclopropyl-;Cyclopropylethyne;Ethyne, cyclopropyl-;Ethynylcyclopropane; |
| EINECS: | 425-430-1 |
| Density: | 0.85 g/cm3 |
| Melting Point: | 294 °C (decomp) |
| Boiling Point: | 31.4 °C at 760 mmHg |
| Flash Point: | -5 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 F,  Xn,  Xi
|
| Risk Codes: | 11-36/37/38-48/20-63-65-67 |
| Safety: | 26-36/37-62-37/39-16 |
| Transport Information: | UN 1294 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.02960 |
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- 24154-06-1
1-chloro-1-cyclopropylethene
- 6746-94-7
Cyclopropylacetylene
| Conditions | Yield |
|---|---|
| With potassium hydroxide In decane; water at 90℃; for 4h; | 96% |
- 917-92-0
2,2-dimethyl-3-butyne
A
- 6746-94-7
Cyclopropylacetylene
B
- 1610010-33-7
N-benzyl 4,4-dimethyl-pent-2-ynylamine
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 94% |
- 14267-92-6
1-chloro-4-pentyne
- 6746-94-7
Cyclopropylacetylene
| Conditions | Yield |
|---|---|
| 90% | |
| With n-butyllithium; ammonium chloride In cyclohexane at 0 - 80℃; | 65% |
| With n-butyllithium In cyclohexane at 0 - 78℃; Inert atmosphere; | 58% |
| With n-butyllithium In cyclohexane other reagent: n-hexyllithium; | |
| With n-butyllithium In cyclohexane at -20 - 78℃; for 4h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 120℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 90% |
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 90% |
- 40459-85-6
α,α-dichloroethylcyclopropane
- 6746-94-7
Cyclopropylacetylene
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 2-ethoxy-ethanol at 60℃; | 89% |
| With potassium tert-butylate In dimethyl sulfoxide | |
| With ammonia; sodium amide | |
| With potassium tert-butylate In toluene at 40℃; for 4h; Dehydrochlorination; |
- 58822-70-1
1,1-dichloro-2-cyclopropylethylene
- 6746-94-7
Cyclopropylacetylene
| Conditions | Yield |
|---|---|
| With methyllithium In tetrahydrofuran at -30 - 0℃; for 1h; Dehalogenation; | 89% |
| With methyllithium In tetrahydrofuran at -30 - 0℃; for 1h; | 89% |
| Conditions | Yield |
|---|---|
| Stage #1: chloroprene With 5,10,15,20-tetraphenyl porphyrin iron In acetone at 0℃; for 0.5h; Inert atmosphere; Stage #2: diazomethane In acetone Reagent/catalyst; Solvent; Temperature; | 87.1% |
- 766-97-2
4-n-methylphenylacetylene
A
- 6746-94-7
Cyclopropylacetylene
B
- 1273578-50-9
N-benzyl-3-(4-methylphenyl)-2-propynylamine
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 87% |
- 1066-54-2
trimethylsilylacetylene
A
- 6746-94-7
Cyclopropylacetylene
B
- 101911-12-0
6,6-dimethyl-1-phenyl-2-aza-6-sila-4-heptyne
| Conditions | Yield |
|---|---|
| With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube; | A n/a B 87% |
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Chemistry
Molecular Structure of Cyclopropyl acetylene (CAS NO.6746-94-7):
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IUPAC Name: Ethynylcyclopropane
Molecular Formula: C5H6
Molecular Weight: 66.10
Index of Refraction: 1.455
Molar Refractivity: 20.92 cm3
Molar Volume: 77 cm3
Surface Tension: 28.4 dyne/cm
Density: 0.85 g/cm3
Flash Point: -5 °C
Enthalpy of Vaporization: 26.54 kJ/mol
Boiling Point: 31.4 °C at 760 mmHg
Vapour Pressure: 605 mmHg at 25 °C
Storage temp.: Flammables area
Appearance: clear colorless to light yellow liquid
Canonical SMILES: C#CC1CC1
InChI: InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
InChIKey: NPTDXPDGUHAFKC-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates; pharmacetical; API intermediates; Acetylenes; Cyclopropanes; Functionalized Acetylenes; Simple 3-Membered Ring Compounds
Uses
Cyclopropyl acetylene (CAS NO.6746-94-7) is used as an intermediate for medicine and pesticide.
Safety Profile
Safety Information of Cyclopropyl acetylene (CAS NO.6746-94-7):
Hazard Codes: 
F,
Xn,
Xi
Risk Statements: 11-36/37/38-48/20-63-65-67
11: Highly Flammable
36/37/38: Irritating to eyes, respiratory system and skin
48/20: Harmful: danger of serious damage to health by prolonged exposure through inhalation
63: Possible risk of harm to the unborn child
65: Harmful: May cause lung damage if swallowed
67: Vapors may cause drowsiness and dizziness
Safety Statements: 26-36/37-62-37/39-16
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37: Wear suitable protective clothing and gloves
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
37/39: Wear suitable gloves and eye/face protection
16: Keep away from sources of ignition - No smoking
RIDADR: UN 1294 3/PG 2
WGK Germany: 2
HazardClass: IRRITANT, FLAMMABLE
Specification
Cyclopropyl acetylene (CAS NO.6746-94-7), its Synonyms are Acetylene,cyclopropyl- ; Cyclopropylacetylene ; Cyclopropylethyne ; Ethyne, cyclopropyl- ; Ethynylcyclopropane ; Cyclopropane,ethynyl- .