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112216

Sigma-Aldrich

4-Chlorobenzaldehyde

97%

Sinônimo(s):

p-Chlorobenzaldehyde

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About This Item

Fórmula linear:
ClC6H4CHO
Número CAS:
Peso molecular:
140.57
Beilstein:
385858
Número CE:
Número MDL:
Código UNSPSC:
12352100
eCl@ss:
39050405
ID de substância PubChem:
NACRES:
NA.22

Ensaio

97%

forma

solid

pb

213-214 °C (lit.)

pf

45-50 °C (lit.)

cadeia de caracteres SMILES

[H]C(=O)c1ccc(Cl)cc1

InChI

1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

chave InChI

AVPYQKSLYISFPO-UHFFFAOYSA-N

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Categorias relacionadas

Descrição geral

4-Chlorobenzaldehyde reacts with 3-tert-butyl-N-4-chlorobenzyl-1-phenyl-1H-pyrazol-5-amine to form (E)-3-tert-Butyl-4-(4-chlorobenzyl)-N-(4-chlorobenzylidene)-1-phenyl-1H-pyrazol-5-amine by a microwave-mediated reaction.

Pictogramas

Exclamation markEnvironment

Palavra indicadora

Warning

Frases de perigo

Classificações de perigo

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 2

Ponto de fulgor (°F)

197.6 °F - closed cup

Ponto de fulgor (°C)

92 °C - closed cup

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves


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Acta crystallographica. Section C, Crystal structure communications, 69(Pt 9), 1039-1042 (2013-09-06)
The title compound, C27H25Cl2N3, is an unexpected but high-yield product from the microwave-mediated reaction between 3-tert-butyl-N-4-chlorobenzyl-1-phenyl-1H-pyrazol-5-amine and 4-chlorobenzaldehyde. Inversion-related pairs of molecules are linked by C-H···π(arene) hydrogen bonds to form cyclic centrosymmetric dimers, and dimers of this type are linked
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