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
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) |
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 |
Abamectin manufacturer
Saasta Life Sciences
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