2-Butynedial supplier | CasNO.21251-20-7

Name
2-Butynedial
EINECS
CAS No. 21251-20-7
Article Data1
CAS DataBase
Density 1.131 g/cm³
Solubility
Melting Point
Formula C₄H₂O₂
Boiling Point 154.5 °C at 760 mmHg
Molecular Weight 82.0587
Flash Point 47.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butynedial;
PSA
LogP

2-Butynedial Specification

The 2-Butynedial, with the CAS registry number of 21251-20-7, is also known as Butynedial. This chemical's molecular formula is C₄H₂O₂ and molecular weight is 82.0. What's more, its systematic name is (2E)-1,4-Dioxobut-2-ene-2,3-diyl.

Physical properties about the 2-Butynedial are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 70; (8)ACD/KOC (pH 7.4): 70; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 18.95 cm³; (15)Molar Volume: 72.5 cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.131 g/cm³; (18)Flash Point: 47.6 °C; (19)Enthalpy of Vaporization: 37.52 kJ/mol; (20)Boiling Point: 154.5 °C at 760 mmHg; (21)Vapour Pressure: 4.07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CC#CC=O
(2) InChI: InChI=1/C4H2O2/c5-3-1-2-4-6/h3-4H
(3) InChIKey: AZEBXWRLBFPUTO-UHFFFAOYAK

Product Name

2-Butynedial

2-Butynedial Specification

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