| Identification | More | [Name]
4-Cyanobenzoyl chloride | [CAS]
6068-72-0 | [Synonyms]
4-CYANOBENZOYL CHLORIDE
LABOTEST-BB LTBB000677
P-CYANOBENZOYL CHLORIDE
4-(Chlorocarbonyl)benzonitrile
4-Cyanbenzoesαurechlorid
4-Cyanobenzoicacidchloride
Benzoylchloride,4-cyano-
Benzoylchloride,p-cyano-
cyanobenzoylchloride
4-Cyan-benzoic acid chloride
4-Cyanocbenzoyl chloride
4-Cyanobenzoyl chloride 98%
4-Cyanobenzoyl chloride ,97%
4-cyanobenzoic chloride
4-Cyanobenzenecarbonyl chloride | [EINECS(EC#)]
228-005-5 | [Molecular Formula]
C8H4ClNO | [MDL Number]
MFCD00001822 | [Molecular Weight]
165.58 | [MOL File]
6068-72-0.mol |
| Chemical Properties | Back Directory | [Appearance]
almost white to beige crystalline powder | [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 | [Detection Methods]
HPLC | [BRN ]
386729 | [InChIKey]
USEDMAWWQDFMFY-UHFFFAOYSA-N | [CAS DataBase Reference]
6068-72-0(CAS DataBase Reference) | [Storage Precautions]
Moisture sensitive |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [F ]
10-21 | [Hazard Note ]
Irritant | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
almost white to beige crystalline powder | [Uses]
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.] |
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