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HomeProduct name list4-Cyanobenzoyl chloride

4-Cyanobenzoyl chloride

  • CAS NO.:6068-72-0
  • Empirical Formula: C8H4ClNO
  • Molecular Weight: 165.58
  • MDL number: MFCD00001822
  • EINECS: 228-005-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-01-22 16:43:48
4-Cyanobenzoyl chloride Structural

What is 4-Cyanobenzoyl chloride?

Chemical properties

almost white to beige crystalline powder

The Uses of 4-Cyanobenzoyl chloride

4-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.

Definition

ChEBI: 4-cyanobenzoyl chloride is an acyl chloride consisting of benzoyl chloride in which the hydrogen at position 4 is replaced by a cyano group. It is a nitrile, a member of benzenes and an acyl chloride. It is functionally related to a benzoyl chloride.

General Description

4-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 Methods

If 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.]

Properties of 4-Cyanobenzoyl chloride

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
CAS DataBase Reference 6068-72-0(CAS DataBase Reference)

Safety information for 4-Cyanobenzoyl chloride

Signal word Danger
Pictogram(s)
ghs
Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P363:Wash contaminated clothing before reuse.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Cyanobenzoyl chloride

InChIKey USEDMAWWQDFMFY-UHFFFAOYSA-N

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