13752-78-8

Basic information

• Product Name: CH3C=CCN
• Synonyms: CH3C=CCN;1-Cyano-1-propyne;1-Propyne-1-carbonitrile;2-Butynenitrile;but-2-ynenitrile
• CAS NO: 13752-78-8
• Molecular Formula: C₄H₃N
• Molecular Weight: 65.07
• Mol File: 13752-78-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 16 °C
• Boiling Point: 74.2°Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 0.913g/cm³
• Vapor Pressure: 111mmHg at 25°C
• Refractive Index: 1.432
• CAS DataBase Reference: CH3C=CCN(CAS DataBase Reference)
• NIST Chemistry Reference: CH3C=CCN(13752-78-8)
• EPA Substance Registry System: CH3C=CCN(13752-78-8)

Safety Data

• Hazardous Substances Data: 13752-78-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H3N/c1-2-3-4-5/h1H3

Upstream product

• 16466-97-0 1-propynylmagnesium bromide 
• 506-77-4 cyanogen chloride 
• 74-99-7 prop-1-yne 
• 2074-87-5 carbon nitride 
• 1070-71-9 propiolonitrile 
• 1071-98-3 2-butynedinitrile 
• 274-89-5 tetrazolo[1,5-b]pyridazine 
• 1001-56-5 buta-2,3-dienenitrile 
• 21031-46-9 3-Chloro-3-butenenitrile 
• 19158-51-1 P-toluenesulfonyl cyanide 
• 64099-82-7 1-propynyltributylstannane 
• 89809-84-7 2-amino-3,5-dicyano-4-isopropyl-6-methyl-4H-pyran 
• 460-19-5 ethanedinitrile 
• 146857-36-5 C₁₃H₁₅N₃O₂S 

Downstream Products

• 83060-73-5 3-amino-5-methylthiophene-2-carbonitrile 
• 104215-68-1 PtH(NCCCHCH₃)(P(C₆H₁₁)3)2 
• 870-64-4 2-aminocrotononitrile 
• 763-33-7 (E)-3-aminocrotononitrile 
• 108817-75-0 2,3-dihydro-2,5-dimethyl-3-phenyl-4-isoxazolecarbonitrile 
• 723-46-6 sulfamethoxazole 
• 54269-64-6 Dichlor-2,3-buten-2-nitril (Z) 
• 54269-63-5 Dichlor-2,3-buten-2-nitril (E) 
• 14678-02-5 5-amino-3-methylisoxazole 
• 21014-10-8 3-Phenylmercapto-cis-buten-⁽²⁾-saeure-nitril 
• 21014-09-5 3-Phenylmercapto-trans-buten-⁽²⁾-saeure-nitril 
• 21017-30-1 (E)-3-phenoxy-2-butenenitrile 
• 21017-29-8 (Z)-3-phenoxy-2-butenenitrile 

Relevant articles and documents

Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science

An alternative preparation of methylcyanobutadiyne (MeC5N), a molecule present in the interstellar medium, was established in order to circumvent tedious steps from previous methods. The possibility of forming methylcyanoacetylene and MeC5N by gas-phase photolysis was evaluated from relevant acetylene derivatives in the context of space science. The reactivity of MeC5N toward simple nucleophiles was investigated. The exclusive formation of E adducts was observed, together with a solvent dependence for the regioselectivity of the addition.

Synthesis and characterization of 2,4-pentadiynenitrile - A key compound in space science

(Chemical Equation Presented) Spaced out: Cyanobutadiyne (3) was synthesized in pure form from 1,3-butadiynyltributylstannane (1) and p-toluene-sulfonyl cyanide (2). Diyne 3 might be formed in the atmosphere of Titan or in the interstellar medium by photolysis of mixtures of acetylene and cyanoacetylene or dicyanoacetylene or of butadiyne and dicyanoacetylene. Only 1,6-addition is observed with nucleophiles.

Process for production of 5-amino-3-methylpyrazole

The process for producing 5-amino-3-methylpyrazole includes the steps of reacting 2,3-dichloropropene with a cyanogenating agent in the presence of a cuprous salt and water at a pH of 3-8 to obtain at least one intermediate selected from the group consisting of 3-chloro-3-butenonitrile and 2,3-butadienenitrile; reacting the at least one intermediate with a base in the presence of water at a pH of 12.5 or above to obtain 2-butynenitrile; and reacting the 2-butynenitrile with hydrazine. This process is advantageous in that it enables the production of 5-amino-3-methylpyrazole in high yield without using any reagent which may produce fire. 5-Amino-3-methylpyrazole is a useful intermediate for medicines, agricultural chemicals, photographic chemicals, etc.