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244422

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
NACRES:
NA.22
PubChem Substance ID:
24854675
eCl@ss:
39010407
UNSPSC Code:
12352100
EC Number:
211-736-9
MDL number:
MFCD00009504
Beilstein/REAXYS Number:
635687
Assay:
97%
Form:
liquid
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vapor pressure

253 mmHg ( 37.7 °C)

Quality Segment

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

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).

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signalword

Danger

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

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

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