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16904-42-0

methoxcarbonyl phenyl carbene is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 16904-42-0 Structure

  • Basic information

    1. Product Name: methoxcarbonyl phenyl carbene
    2. Synonyms:
    3. CAS NO:16904-42-0
    4. Molecular Formula:
    5. Molecular Weight: 148.161
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16904-42-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: methoxcarbonyl phenyl carbene(CAS DataBase Reference)
    10. NIST Chemistry Reference: methoxcarbonyl phenyl carbene(16904-42-0)
    11. EPA Substance Registry System: methoxcarbonyl phenyl carbene(16904-42-0)

  • 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: 16904-42-0(Hazardous Substances Data)

16904-42-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 16904-42-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,9,0 and 4 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 16904-42:
(7*1)+(6*6)+(5*9)+(4*0)+(3*4)+(2*4)+(1*2)=110
110 % 10 = 0
So 16904-42-0 is a valid CAS Registry Number.

16904-42-0Relevant articles and documents

Computational and experimental studies of the effect of substituents on the singlet-triplet energy gap in phenyl(carbomethoxy)carbene

Geise, C. Michael,Wang, Yuhong,Mykhaylova, Olena,Frink, Brian T.,Toscano, John P.,Hadad, Christopher M.

, p. 3079 - 3088 (2002)

The effect of aromatic substitution on the singlet-triplet energy gap in substituted phenyl-(carbomethoxy)carbene (X-Ph-C-CO2CH3, PCC) has been explored by time-resolved infrared (TRIR) spectroscopy and gas-phase computational methods. The ground state of para-substituted PCC is calculated to change from the triplet state in p-NO2-PCC (AGST = 6.1 kcal/mol) to the singlet state in p-NH2-PCC (AGST = -2.81kcal/mol). The absence of solvent perturbation in the TRIR spectra of p-N(CH3)2-PCC (which should have electronic properties similar to p-NH2-PCC) and parent PCC is consistent with their ground states lying >±2 kcal/mol from the next available electronic state, in line with the computational results. The observation of solvent perturbation in the TRIR spectra ofp-OCH3-PCC and p-CH3-PCC implies that their ground states lie ST values of -3.9 and -1.3 kcal/mol from polarizable continuum model (PCM) calculations with acetonitrile as a solvent. Gas-phase computational results for the meta- and ortho-substituted PCC species are also presented, along with selected linear free energy (LFE) relationships for the para and meta species.

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