1-Hexyne Property

Melting point:

-132 °C

Boiling point:

71-72 °C(lit.)

Density 

0.715 g/mL at 25 °C(lit.)

vapor pressure 

253 mm Hg ( 37.7 °C)

refractive index 

n20/D 1.399(lit.)

Flash point:

−6 °F

storage temp. 

Store at +2°C to +8°C.

solubility 

0.36g/l (experimental)

form 

Liquid

Specific Gravity

0.715

color 

Clear colorless

Water Solubility 

Miscible with organic solvents. Immiscible with water.

BRN 

635687

Stability:

Stable. Incompatible with strong oxidizing agents. Highly flammable - readily forms explosive mixtures with air.

CAS DataBase Reference

693-02-7(CAS DataBase Reference)

NIST Chemistry Reference

1-Hexyne(693-02-7)

EPA Substance Registry System

1-Hexyne (693-02-7)

Safety

Hazard Codes 

F,Xn,Xi

Risk Statements 

11-36/37/38-65

Safety Statements 

16-26-36-62-9-33-7/9

RIDADR 

UN 3295 3/PG 2

WGK Germany 

3

RTECS 

MQ9691000

F 

10-23

Autoignition Temperature

263 °C

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29012980

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P331Do NOT induce vomiting.

1-Hexyne Chemical Properties,Usage,Production

Chemical Properties

colourless liquid

Uses

1-Hexyne is used in the preparation of tricyclic isoindolinone scaffold by undergoing hydrozirconation and ring-closing metathesis. It is used to prepare trans-1,2-bis(5-thianthreniumyl)alkene tetrafluoroborate by reacting with thianthrene cation radical tetrafluoroborate.

Definition

ChEBI: 1-hexyne is a terminal acetylenic compound that is hexane carrying a triple bond at position 1. It is a terminal acetylenic compound, an alkyne and a volatile organic compound.

General Description

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

Hazard

Probably flammable.

Purification Methods

Distil it from NaBH4 to remove peroxides. Stand over sodium for 24hours, then fractionally distil it under reduced pressure. Also dry it by repeated vacuum transfer into freshly activated 4A molecular sieves, followed by vacuum transfer onto Na/K alloy and stirring for 1hour before fractionally distilling. [Beilstein 1 IV 1006.]