112216
4-Chlorobenzaldehyde
97%
Synonym(s):
p-Chlorobenzaldehyde
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About This Item
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Assay
97%
form
solid
bp
213-214 °C (lit.)
mp
45-50 °C (lit.)
functional group
aldehyde
chloro
SMILES string
[H]C(=O)c1ccc(Cl)cc1
InChI
1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChI key
AVPYQKSLYISFPO-UHFFFAOYSA-N
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General description
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
197.6 °F - closed cup
Flash Point(C)
92 °C - closed cup
Personal Protective Equipment
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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