244422

1-Hexyne

97%

• Synonym(s): Butylacetylene, n-Butylacetylene
• Linear Formula: CH₃(CH₂)₃C≡CH
• CAS Number: 693-02-7
• Molecular Weight: 82.14
• Beilstein/REAXYS Number: 635687
• EC Number: 211-736-9
• MDL number: MFCD00009504
• UNSPSC Code: 12352100
• eCl@ss: 39010407
• PubChem Substance ID: 24854675
• NACRES: NA.22

Properties

• vapor pressure: 253 mmHg ( 37.7 °C)
• Quality Level: 100
• assay: 97%
• form: liquid
• impurities: <2% 1-bromobutane
• refractive index: n20/D 1.399 (lit.)
• bp: 71-72 °C (lit.)
• mp: −132 °C (lit.)
• density: 0.715 g/mL at 25 °C (lit.)
• SMILES string: CCCCC#C
• InChI: 1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3
• InChI key: CGHIBGNXEGJPQZ-UHFFFAOYSA-N

Description

General description

1-Hexyne reacted with thianthrene cation radical tetrafluoroborate to form trans-1,2-bis(5-thianthreniumyl)alkene tetrafluoroborate.

Application

1-Hexyne was used in the synthesis of a tricyclic isoindolinone scaffold by undergoing hydrozirconation and ring-closing metathesis (RCM).

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H335
• pcodes: P210 - P233 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: -4.0 °F - closed cup
• flash_point_c: -20 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter