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Butanediyne

Organic compound
Diacetylene is an organic compound, also known as diacetylenes , chemical formula is C4H2, molecular weight is 50.05868. It is the simplest compound with two triple bonds.
It is a very active substance and easy to polymerize. Mixed with air can form Explosive mixture It is easy to burn and explode in case of open fire and high heat. Explosive decomposition may occur at 2-20kPa atmospheric pressure.
Chinese name
Butanediyne
Foreign name
Diacetylene;1,3-butadiyne
Alias
diacetylenes
chemical formula
C4H2
molecular weight
fifty point zero five eight six eight
CAS login number
460-12-8
EINECS login number
207-303-9
Melting point
-36 ℃
Boiling point
ten point three
Water solubility
Insoluble in water, soluble in ethanol, soluble in ether
Density
zero point eight zero six
Appearance
Colourless gas
Application
For organic synthesis
UN dangerous goods number
three thousand one hundred and sixty-one
Molar refractive index
sixteen point two three
Refractive index
one point four three six

essential information

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1,3-butylene
Diacetylene belongs to unsaturated fatty hydrocarbon, and its characteristic vibration spectrum has been Titan And on Protoplanetary nebula CRL 618 identification. adopt acetylene and Ethynyl (C2H) and acetylene photolysis In turn, this free radical can attack the triple bond of acetylene, and even react effectively at low temperatures. Butylene has also been detected on the moon.

Physical and chemical properties

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Appearance and property: colorless gas, with acute toxicity
Melting point (℃): - 36
Boiling point (℃): 10.3
Refractive index: 1.436
Relative density (water=1): 0.806
Upper explosive limit% (V/V): 100
Lower explosive limit% (V/V): 1.5
Solubility: insoluble in water, soluble in ethanol, soluble in ether.
Molar volume: 62 cm three

Main purpose

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1. Make it into Sodium acetylene Later available with Haloalkane , ketone and other reactions;
2. Is important Organic synthesis Reagents.

synthesis

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The compound can be synthesized by 1,4-Dichloro-2-butylene As raw material, and Potassium hydroxide Dehydrochloride (in alcohol medium) is prepared at low temperature, Chemical equation As follows:

Hazards

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Health hazard: It has simple suffocation and weak anesthetic effect.
Environmental hazard: It is harmful to the environment and may cause pollution to the atmosphere.
Flammability hazard: This product is flammable and suffocating.

Storage and transportation characteristics

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The warehouse is ventilated and dry at low temperature; Store separately from oxidants, silver nitrate and acids; It is not easy to store for a long time to prevent polymerization. [1]

security information

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Explosive hazard characteristics: explosive; Polymerization explosion at 0 ℃; React with silver nitrate to generate friction sensitive explosives
Flammability hazard characteristics: thermal decomposition emits pungent and irritating smoke
Main hazard: highly flammable
Dangerous goods transportation No.: 3161
Hazard sign: R11 R19

Calculate chemical data

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1. Reference value for drainage parameter calculation (XlogP): 0.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecular polar surface area: 0
7. Number of heavy atoms: 4
8. Surface charge: 0
9. Complexity: 67.1
10、 Isotope atom Quantity: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond structure centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1 [2]