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244422

Sigma-Aldrich

1-Hexyne

97%

Synonym(s):

Butylacetylene, n-Butylacetylene

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About This Item

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

vapor pressure

253 mmHg ( 37.7 °C)

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

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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).

Signal Word

Danger

Hazard Statements

H225,H304,H315,H319,H335

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-4.0 °F - closed cup

Flash Point(C)

-20 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Bettina Miller et al.
Beilstein journal of organic chemistry, 8, 1091-1097 (2012-09-29)
Hydrozirconation of 1-hexyne, the addition to in situ prepared N-acyliminium species, and ring-closing metathesis (RCM) were key steps in the preparation of a tricyclic isoindolinone scaffold. An unusual alkene isomerization process during the RCM was identified and studied in some
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