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Benzaldehyde, 2,3-diethynyl- (9CI) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 412041-46-4 Structure
  • Basic information

    1. Product Name: Benzaldehyde, 2,3-diethynyl- (9CI)
    2. Synonyms: Benzaldehyde, 2,3-diethynyl- (9CI)
    3. CAS NO:412041-46-4
    4. Molecular Formula: C11H6O
    5. Molecular Weight: 154.16474
    6. EINECS: N/A
    7. Product Categories: ALDEHYDE
    8. Mol File: 412041-46-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzaldehyde, 2,3-diethynyl- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzaldehyde, 2,3-diethynyl- (9CI)(412041-46-4)
    11. EPA Substance Registry System: Benzaldehyde, 2,3-diethynyl- (9CI)(412041-46-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 412041-46-4(Hazardous Substances Data)

412041-46-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 412041-46-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,1,2,0,4 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 412041-46:
(8*4)+(7*1)+(6*2)+(5*0)+(4*4)+(3*1)+(2*4)+(1*6)=84
84 % 10 = 4
So 412041-46-4 is a valid CAS Registry Number.

412041-46-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3-diethynylbenzaldehyde

1.2 Other means of identification

Product number -
Other names BENZALDEHYDE,2,3-DIETHYNYL

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:412041-46-4 SDS

412041-46-4Downstream Products

412041-46-4Relevant articles and documents

Ortho effect in the Bergman cyclization: Comparison of experimental approaches and dissection of cycloaromatization kinetics

Zeidan, Tarek A.,Kovalenko, Serguei V.,Manoharan, Mariappan,Alabugin, Igor V.

, p. 962 - 975 (2007/10/03)

Four different experimental sources of kinetic information were combined to study the effect of ortho substituents on the rate of Bergman cycloaromatization. All methods confirm that the cyclization barrier is highly sensitive to the nature of the ortho substituents. However, the measured activation energies strongly depend on the choice of experimental technique: even the relative trends provided by the different methods agree with each other only in the case of acceptor substituents. Both the onset peaks and the activation energies determined by differential scanning calorimetry (DSC; either in neat enediynes or in their solutions in 10.6 M 1,4-cyclohexadiene (1,4-CHD)) strongly overestimate the reactivity of 1,2-diethynylbenzene, suggesting that DSC cannot be taken as a reliable indicator of enediyne reactivity. This discrepancy is likely to stem from the presence of side reactions with low activation barriers, especially important when the reaction is conducted in neat enediyne. On the other hand, kinetic measurements based on monitoring the concentrations of enediyne reactants and naphthalene products provide reliable general trends that include the parent benzannelated enediyne. These measurements confirm that both ortho-NO2 and ortho-CHO substituents substantially decrease activation energies for the Bergman cyclization, supporting earlier computational predictions. A comparison of theory and experiment suggests that computations at the Moeller-Plesset second-order perturbation theory (MP2)/6-31G** level provide an excellent alternative to DFT when an accurate description of the contribution of noncovalent interactions to the activation energy is needed. Activation energies derived from keff, the effective rate constant under the pseudo-first-order approximation, depend on the 1,4-CHD concentrations. The true rate constant, k-1, for the cyclization step and the ratio of constants for the retro-Bergman ring opening, k-1, and the intermolecular H-atom abstraction, k2, were determined from the dependence of cycloaromatization kinetics of ortho- and para-NO2 substituted enediynes on the concentration of 1,4-CHD.

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