ChemicalBook--->CAS DataBase List--->6068-72-0

6068-72-0

6068-72-0 Structure

6068-72-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->N,N-Dimethylformamide-->Oxalyl chloride-->4-Cyanobenzoic acid
[Preparation Products]

4-CYANOBENZOPHENONE-->4-(Difluoromethyl)benzonitrile-->Benzoic acid, 4-cyano-, hydrazide (9CI)-->4-cyano-N-pyridin-3-ylbenzamide-->4-(5,6,7,8-Tetrahydroquinolin-2-yl)benzonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Cyanobenzoyl chloride(6068-72-0).msds
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyanobenzoyl chloride(6068-72-0)IR
4-Cyanobenzoyl chloride(6068-72-0)FT-IR
4-Cyanobenzoyl chloride(6068-72-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Cyanobenzoyl chloride, 98%(6068-72-0)
[Alfa Aesar]

4-Cyanobenzoyl chloride, 98%(6068-72-0)
[Sigma Aldrich]

6068-72-0(sigmaaldrich)
[TCI AMERICA]

4-Cyanobenzoyl Chloride,>98.0%(T)(6068-72-0)
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