CAS No.693-02-7,1-Hexyne Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	693-02-7
Name:	1-Hexyne
Article Data:	101

Formula:	C₆H₁₀
Molecular Weight:	82.1454
Synonyms:	Butylacetylene;NSC 9709;n-Butylacetylene;
EINECS:	211-736-9
Density:	0.738 g/cm³
Melting Point:	-132 °C
Boiling Point:	71.424 °C at 760 mmHg
Flash Point:	−6 °F
Appearance:	colourless liquid
Hazard Symbols:
Risk Codes:	11-36/37/38-65
Safety:	16-26-33-36-62-9
Transport Information:	UN 3295
PSA:	0.00000
LogP:	1.80980

Synthetic route

: 49677-13-6
(E)-1,2-dibromohex-1-ene

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; tri-n-butyl-tin hydride In tetrahydrofuran for 0.5h; Ambient temperature;	100%

: 58177-69-8
n-butylethynylmagnesium chloride

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With oxygen In tetrahydrofuran at 20℃; for 0.75h;	99%

: 624-20-4
1,2-dibromohexane

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; without <18>krone-6; Yields of byproduct given;	96%
With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 90℃; for 6h;	92%
With potassium hydroxide; 2,5-dimethyl-2,5-hexanediol; tetraoctyl ammonium bromide at 80 - 90℃; for 0.25h;	88%

: 13154-12-6
(Z)-1-bromohex-1-ene

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 25℃; for 2h;	96%

: 13154-13-7
(E)-1-bromohex-1-ene

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h;	93%

: 3017-66-1
2-bromohex-1-ene

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 1h;	92%
With sodium amide; xylene at 130℃; und zersetzt das entstandene Produkt mit Eiswasser;
With petroleumfraction of mp: 150-180 degree at 150℃; und zersetzt das entstandene Produkt mit Eiswasser;

: 931-48-6
2-cyclohexylacetylene

: 1379038-80-8
N-benzylhept-2-yn-1-amine

A: N-benzyl-3-cyclohexylprop-2-yn-1-amine

B: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With Lu(N(SiMe3)2)3 In toluene at 100℃; for 48h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube;	A 90% B n/a

...Expand

: 109-65-9
1-bromo-butane

: 1066-26-8
sodium acetylide

: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
In diethyl ether; ammonia for 2h;	80%
	32%
With ammonia

: 6746-94-7
Cyclopropylacetylene

: 1379038-80-8
N-benzylhept-2-yn-1-amine

A: N-benzyl 3-cyclopropyl-prop-2-ynylamine

B: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With Lu(N(SiMe3)2)3 In toluene at 130℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Sealed tube;	A 75% B n/a

...Expand

: 121826-88-8
C9H18B(1-)*Li(1+)

A: 625-25-2
2-Methyl-2-heptanol

B: 110-43-0
n-pentyl methyl ketone

C: 693-02-7
hex-1-yne

Conditions

Conditions	Yield
With sodium hydroxide; methanesulfonic acid; dihydrogen peroxide 1.) Et2O, -78 deg C, warming to 25 deg C, 2h; Yield given. Multistep reaction;	A 8% B n/a C 73%
With sodium hydroxide; methanesulfonic acid; dihydrogen peroxide 1.) Et2O, -78 deg C warming to 25 deg C, 2h; Yield given. Multistep reaction;	A 8% B 9% C n/a

...Expand

Raw Materials

592-44-9

79-35-6

110-82-7

66-25-1

75-09-2

49677-13-6

112-36-7

64-17-5

Downstream Products

106-99-0

591-78-6

110-54-3

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Chemistry

IUPAC Name: hex-1-yne
The MF of 1-Hexyne(693-02-7): C₆H₁₀
The MW of 1-Hexyne(693-02-7): 82.14
EINECS: 211-736-9
mp: -132 °C
bp: 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.)
Fp: -6 °F
storage temp.: 0-6°C
Appearance: colourless liquid
Solubility in water: Slightly soluble
Enthalpy of Vaporization: 29.99 kJ/mol
Stability: Stable. Incompatible with strong oxidizing agents. Highly flammable - readily forms explosive mixtures with air.
Categories: Miscellaneous;Acetylenes;Acetylenic Hydrocarbons;Alkynes;Organic Building Blocks;Terminal
Synonyms: N-BUTYLACETYLENE;Butylacetylene;C4H9CequivCH;Hex-1-yne;Hexyne;1-HEXYNE;HEXYNE(1-);Butyl acetyne
The Structure of 1-Hexyne(693-02-7):

Toxicity Data With Reference

1. mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)
Journal of the American Chemical Society. Vol. 79, Pg. 2311, 1957.
2. mouse LD50 subcutaneous > 400mg/kg (400mg/kg)
Nature. Vol. 174, Pg. 737, 1954.

Safety Profile

Hazard Codes:

Xn,Xi
Risk Statements: 11-36/37/38-65
11: Highly Flammable
36/37/38: Irritating to eyes, respiratory system and skin
65: Harmful: May cause lung damage if swallowed
Safety Statements: 16-26-36-62-9-33-7/9
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
9: Keep container in a well-ventilated place
33: Take precautionary measures against static discharges
7/9: Keep container tightly closed and in a well-ventilated place
RIDADR: UN 3295 3/PG 2
WGK Germany: 3
RTECS: MQ9691000
F: 10-23
F 10 Keep under argon.
F 23 Sensitive to air.
Hazard Note: Irritant
HazardClass: 3
PackingGroup: II
HS Code: 29012980

Specification

1. First Aid Measures
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid immediately. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Discard contaminated clothing in a manner which limits further exposure.
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Refrigerator/flammables.
Handling:
Wash thoroughly after handling. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Do not breathe vapors.