ChemicalBook Product Catalog Chemical Reagents Organic reagents Cyanide / nitrile 4-Chlorobenzonitrile

4-Chlorobenzonitrile

4-Chlorobenzonitrile Basic information
Product Name:4-Chlorobenzonitrile
Synonyms:4-CYANOCHLOROBENZENE;4-CHLOROBENZONITRILE;AKOS B004081;LABOTEST-BB LT01147713;P-CHLOROBENZONITRILE;P-CHLORBENZONITRILE;4-chloro-benzonitril;1-Cyano-4-chlorobenzene
CAS:623-03-0
MF:C7H4ClN
MW:137.57
EINECS:210-765-4
Product Categories:Pesticides intermediate;cyanide| alkyl chloride;Cyanides/Nitriles;Nitrogen Compounds;Benzonitriles (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;C6 to C7;Aromatic Nitriles;Nitriles
Mol File:623-03-0.mol
4-Chlorobenzonitrile Structure
4-Chlorobenzonitrile Chemical Properties
Melting point 90-93 °C(lit.)
Boiling point 223 °C(lit.)
density 1,2 g/cm3
vapor pressure 6.67hPa at 80.4℃
refractive index 1.4530 (estimate)
Fp 108 °C
storage temp. Sealed in dry,Room Temperature
solubility 0.245g/l practically insoluble
form Flakes or Chunks
color White to yellow
Water Solubility insoluble
BRN 1072122
InChIKeyGJNGXPDXRVXSEH-UHFFFAOYSA-N
LogP2.47 at 20℃
CAS DataBase Reference623-03-0(CAS DataBase Reference)
NIST Chemistry Reference4-Chlorobenzoic acid nitrile(623-03-0)
EPA Substance Registry System4-Chlorobenzonitrile (623-03-0)
Safety Information
Hazard Codes Xn
Risk Statements 20/22-36/37/38
Safety Statements 23-26-36
RIDADR 3439
WGK Germany 2
RTECS DI2800000
Hazard Note Harmful
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29269095
MSDS Information
ProviderLanguage
4-Chlorobenzonitrile English
SigmaAldrich English
ACROS English
ALFA English
4-Chlorobenzonitrile Usage And Synthesis
Chemical PropertiesSLIGHTLY BLUE CRYSTALLINE POWDER AND CHUNKS
Uses4-Chlorobenzonitrile is used to prepare a red pigment for plastics. It is also used in the preparation of amides in organic synthesis. Further, it is used as an intermediate of dye and active pharmaceutical ingredients.
DefinitionChEBI: 4-Chlorobenzonitrile is a member of benzenes and a nitrile.
Synthesis Reference(s)The Journal of Organic Chemistry, 23, p. 1350, 1958 DOI: 10.1021/jo01103a031
Synthetic Communications, 19, p. 1431, 1989 DOI: 10.1080/00397918908054553
Tetrahedron Letters, 31, p. 1063, 1990 DOI: 10.1016/S0040-4039(00)94431-9
Flammability and ExplosibilityNonflammable
4-Chlorobenzonitrile Preparation Products And Raw materials
Preparation Products4-CHLORO-2-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->4-Piperazinobenzonitrile-->4-CHLOROBENZAMIDINE HYDROIODIDE-->4-Chlorobenzene-1-carboximidamide hydrochloride-->4,4'-Oxybisbenzoic acid-->Pigment Red 254-->2-(4-chlorophenyl)-3-oxovaleronitrile-->4-N-BUTOXYBENZONITRILE-->3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->TERT-BUTYL 4-CYANOPHENYLCARBAMATE-->4-CYANOTHIOPHENOL-->4-ETHOXYBENZONITRILE-->4,4'-BIPHENYLDICARBONITRILE-->4-CHLORO-3-(TRIFLUOROMETHYL)BENZONITRILE-->3-BROMO-4-CHLOROBENZONITRILE-->4'-Hydroxy-4-biphenylcarbonitrile-->4-CYANOBENZENESULFONYL CHLORIDE 97
4-(bromomethyl)-3-chlorobenzonitrile 2-(AMINOMETHYL)-5-CHLOROBENZONITRILE 2-Amino-3,5-dibromo-6-chlorobenzonitrile Tetrachloroterephthalonitrile alpha-Chloro-o-fluorotoluene 2,4-Bis(1-propynyloxy)-5-chlorobenzonitrile 3-BROMO-2-CHLOROBENZONITRILE 2,5-DIAMINO-3-CHLOROBENZONITRILE 2-(4-acetyl-5-methyl-1H-1,2,3-triazol-1-yl)-5-chlorobenzonitrile 4-(DI-T-BOC-AMINOMETHYL)-3-CHLOROBENZONITRILE 2-Fluoro-6-Chlorobenzonitrile 4-[[4-[Bis(2-hydroxyethyl)amino]-2-methylphenyl]azo]-2-chlorobenzonitrile 2-METHYL-3-CHLOROBENZONITRILE 5% 3-METHYL-4-CHLOROBENZONITRILE 2-azido-5-chlorobenzonitrile 1,2-Dichloro-4-(chloromethyl)benzene 2,6-Difluoro-4-Chlorobenzonitrile 3-Amino-4-chlorobenzonitrile 96%
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