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122017

Sigma-Aldrich

o-Toluoyl chloride

99%

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Synonym(s):
2-Methylbenzoyl chloride
Linear Formula:
CH3C6H4COCl
CAS Number:
Molecular Weight:
154.59
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

99%

refractive index

n20/D 1.5549 (lit.)

bp

88-90 °C/12 mmHg (lit.)

density

1.185 g/mL at 25 °C (lit.)

SMILES string

Cc1ccccc1C(Cl)=O

InChI

1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

InChI key

GPZXFICWCMCQPF-UHFFFAOYSA-N

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General description

Flash vacuum pyrolysis of o-toluoyl chloride at 780°C and 0.5 mmHg yields benzocyclobutenone.

Application

  • Development of hydrophobic functionalized materials: o-Toluoyl chloride was utilized in the synthesis of novel hydrophobic functionalized UiO-66 materials. The study demonstrated the chemical′s role in enhancing the structural and physicochemical properties of these metal-organic frameworks, indicating potential applications in catalysis and adsorption processes (Narea et al., 2023).

pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Skin Corr. 1B

wgk_germany

WGK 3

flash_point_f

170.6 °F

flash_point_c

77 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

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Improved synthesis of benzocyclobutenone by flash vacuum pyrolysis.
Suzzarini L, et al.
Tetrahedron Letters, 39(13), 1695-1696 (1998)
Ataf Ali Altaf et al.
Dalton transactions (Cambridge, England : 2003), 47(34), 11769-11781 (2018-08-18)
Twenty-three compounds in two series of ferrocene-based anilides, with the general formula C5H5-Fe-C5H4-C6H4-NH-CO-C6H4-R (where R = H, F, Cl, CH3 and OCH3), have been successfully synthesized. The compounds were characterized by elemental analysis and FTIR, 1H NMR and 13C NMR
Shigeo Hayashi et al.
Journal of enzyme inhibition and medicinal chemistry, 29(6), 846-867 (2014-02-13)
Because of the pivotal role of cyclooxygenase (COX) in the inflammatory processes, non-steroidal anti-inflammatory drugs (NSAIDs) that suppress COX activities have been used clinically for the treatment of inflammatory diseases/syndromes; however, traditional NSAIDs exhibit serious side-effects such as gastrointestinal damage

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