ethynylcyclopropane

• ChemBase ID: 16361
• Molecular Formular: C5H6
• Molecular Mass: 66.10114
• Monoisotopic Mass: 66.04695019
• SMILES: C(#C)C1CC1
• Canonical SMILES: C#CC1CC1
• InChI: InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2
• InChIKey: NPTDXPDGUHAFKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethynylcyclopropane
• IUPAC Traditional name: ethynylcyclopropane
• Synonyms: Cyclopropylacetylene; Ethynylcyclopropane; Cyclopropylacetylene; Ethynylcyclopropane; Cyclopropylacetylene; Ethynylcyclopropane solution; Cyclopropylacetylene solution; Cyclopropyl acetylene; 乙炔基环丙烷; 环丙基乙炔; 乙炔基环丙烷 溶液; 环丙基乙炔 溶液

Database IDs

• CAS Number: 6746-94-7
• MDL Number: MFCD02181090
• PubChem SID: 24880094; 24884177; 160979668
• PubChem CID: 138823

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.258139
• LogD (pH = 7.4): 1.258139
• Log P: 1.258139
• Molar Refractivity: 21.4142 cm^3
• Polarizability: 8.126301 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 51 °C; 51°C/760mm; 51°C; 79-80 °C; 79-80°C
• Flash Point: 1.4 °F; -17 °C; -17°C; -17°C(-1°F); -20 °C; -4 °F
• Density: 0.781; 0.781 g/mL at 25 °C; 0.797
• Refractive Index: 1.429; 1.4480; n20/D 1.429; n20/D 1.4480
• Hydrophobicity(logP): 1.367

Safety Information

• Storage Warning: Highly Flammable/Harmful/Keep Cold; IRRITANT, FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 1294; 1993; UN3295
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 4-11-38-41-52/53; 63-4-11-38-41-48/20-52/53-65-67
• Safety Statements: 16-26-36/37/39-61-62; 2-9-16-26-33-37/39-61; 9-16-26-33-37/39-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H318-H336-H361d-H373-H412; H225-H315-H318-H412; H225-H318-H315-H412
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P210-P261-P273-P280-P301 + P310-P305 + P351 + P338; P210-P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2; UN 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 97%; 98%
• Concentration: 70 wt. % in toluene
• Bulk Density: 0.797 g/mL
• Linear Formula: (C3H5)C≡CH
• Empirical Formula (Hill Notation): C5H6

DETAILS

Sigma Aldrich - 563374

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 663018

Packaging
5, 25 g in glass bottle