4-Cyanobenzoyl chloride
4-Cyanobenzoyl chloride
  • CAS No.:6068-72-0
Other grades of this product :
4-Cyanobenzoyl chloride Basic information
Product Name:4-Cyanobenzoyl chloride
Synonyms:4-CYANOBENZOYL CHLORIDE;LABOTEST-BB LTBB000677;P-CYANOBENZOYL CHLORIDE;4-Cyanocbenzoyl chloride;4-Cyanobenzoyl chloride 98%;4-Cyanobenzoyl chloride ,97%;4-cyanobenzoic chloride;4-Cyanobenzenecarbonyl chloride
CAS:6068-72-0
MF:C8H4ClNO
MW:165.58
EINECS:228-005-5
Product Categories:Absolute Configuration Determination (Exciton Chirality CD Method);Analytical Chemistry;Benzonitriles (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Enantiomer Excess & Absolute Configuration Determination;Exciton Chirality CD Method (for Hydroxyl Groups);Aromatic Halides (substituted);Functional Materials;Acid Halides;Carbonyl Compounds;Organic Building Blocks
Mol File:6068-72-0.mol
4-Cyanobenzoyl chloride Chemical Properties
Melting point 68-70 °C(lit.)
Boiling point 110 °C / 2mmHg
density 1.2744 (rough estimate)
refractive index 1.5430 (estimate)
storage temp. Inert atmosphere,Room Temperature
form Crystalline Powder
color Almost white to beige
Water Solubility Reacts with water.
Sensitive Moisture Sensitive
BRN 386729
InChIKeyUSEDMAWWQDFMFY-UHFFFAOYSA-N
CAS DataBase Reference6068-72-0(CAS DataBase Reference)
Safety Information
Hazard Codes C
Risk Statements 34
Safety Statements 26-36/37/39-45-24/25
RIDADR UN 3261 8/PG 2
WGK Germany 3
10-21
Hazard Note Irritant
HazardClass 8
PackingGroup II
HS Code 29269090
MSDS Information
ProviderLanguage
4-Cyanobenzoyl chloride English
SigmaAldrich English
ACROS English
ALFA English
4-Cyanobenzoyl chloride Usage And Synthesis
Chemical Propertiesalmost white to beige crystalline powder
Uses4-Cyanobenzoyl chloride has been used in the synthesis of new liquid crystalline heteroaromatic compounds containing the five-membered isoxazole, tetrazole and 1,2,4-oxadiazole rings. It has been used in the synthesis of substituted benzoate esters and to study their excited-state behavior.
General Description4-Cyanobenzoyl chloride participates in the benzylamine acylation of Argopore MB-CHO resin in the presence of pyridine and catalyst. It reacts with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinoxyl (4-hydroxy-TEMPO) in pyridine under nitrogen atmosphere to form 4-cyanobenzoyl-TEMPO.
Purification MethodsIf the IR shows the presence of OH, then treat it with SOCl2 boil for 1hour, evaporate and distil it in a vacuum. The distillate solidifies and can be recrystallised from pet ether. It is moisture sensitive and an IRRITANT. [Ashley et al. J Chem Soc 103 1942, Fison et al. J Org Chem 16 648 1951,[Beilstein 9 III 4255, 14 IV 3327.]
4-Cyanobenzoyl chloride Preparation Products And Raw materials
Raw materialsDichloromethane-->N,N-Dimethylformamide-->Oxalyl chloride-->4-Cyanobenzoic acid
Preparation Products4-CYANOBENZOPHENONE-->4-(Difluoromethyl)benzonitrile-->Benzoic acid, 4-cyano-, hydrazide (9CI)

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