ChemicalBook--->CAS DataBase List--->623-03-0

623-03-0

623-03-0 Structure

623-03-0 Structure
IdentificationMore
[Name]

4-Chlorobenzonitrile
[CAS]

623-03-0
[Synonyms]

4-CHLOROBENZONITRILE
4-CYANOCHLOROBENZENE
AKOS B004081
LABOTEST-BB LT01147713
PCBN
P-CHLORBENZONITRILE
P-CHLOROBENZONITRILE
4-chloro-benzonitril
Benzonitrile, 4-chloro-
Benzonitrile, p-chloro-
Nitril kyseliny p-chlorbenzoove
nitrilkyselinyp-chlorbenzoove
p-chloro-benzonitril
p-Chlorocyanobenzene
p-Cyanochlorobenzene
p-Chlorotolunitrile
4-Chlorobenzonitrile,99%
1-CHLORO-4-CYANOBENZENE
PARA-CHLOROBENZONITRILE
p-Chlorbenzonitril
[EINECS(EC#)]

210-765-4
[Molecular Formula]

C7H4ClN
[MDL Number]

MFCD00001813
[Molecular Weight]

137.57
[MOL File]

623-03-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to yellow flakes or chunks
[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
[Henry's Law Constant]

2.5×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[InChIKey]

GJNGXPDXRVXSEH-UHFFFAOYSA-N
[LogP]

2.47 at 20℃
[CAS DataBase Reference]

623-03-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Chlorobenzoic acid nitrile(623-03-0)
[EPA Substance Registry System]

623-03-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332-H315-H319-H335
[Precautionary statements ]

P261-P264-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3439
[WGK Germany ]

2
[RTECS ]

DI2800000
[Hazard Note ]

Harmful
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorobenzoic acid-->Urea
[Preparation Products]

4-Chloro-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile-->4-Piperazinobenzonitrile-->4-Chlorobenzamidine hydroiodide-->4,4'-Dicarboxydiphenyl Ether-->4-Chlorobenzene-1-carboximidamide hydrochloride-->2-(4-chlorophenyl)-3-oxovaleronitrile-->Pigment Red 254-->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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzonitrile(623-03-0).msds
Hazard InformationBack Directory
[Chemical Properties]

SLIGHTLY BLUE CRYSTALLINE POWDER AND CHUNKS
[Uses]

4-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.
[Definition]

ChEBI: 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 Explosibility]

Nonflammable
[Synthesis]

224 grams of V2O5 was added to a solution consisting of 490 ml of water 468 grams of oxalic acid at a temperature of 80 to 90°C, stirred thoroughly, and reacted to obtain a vanadium oxalate solution.

1250 g of SiO2 silica sol at a weight percent

Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzonitrile(623-03-0)MS
4-Chlorobenzonitrile(623-03-0)1HNMR
4-Chlorobenzonitrile(623-03-0)13CNMR
4-Chlorobenzonitrile(623-03-0)IR1
4-Chlorobenzonitrile(623-03-0)IR2
4-Chlorobenzonitrile(623-03-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzonitrile, 99%(623-03-0)
[Alfa Aesar]

4-Chlorobenzonitrile, 99%(623-03-0)
[Sigma Aldrich]

623-03-0(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzonitrile,>98.0%(GC)(623-03-0)
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