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ChemicalBook--->CAS DataBase List--->140-53-4

140-53-4

140-53-4 Structure

140-53-4 Structure
IdentificationMore
[Name]

4-Chlorobenzyl cyanide
[CAS]

140-53-4
[Synonyms]

4-CHLOROBENZYL CYANIDE
(4-CHLOROPHENYL)ACETONITRILE
CHLOROBENZYLCYANIDE-4
LABOTEST-BB LT00891700
PCCN
P-CHLOROBENZYL CYANIDE
P-CHLOROPHENYLACETONITRILE
TIMTEC-BB SBB004060
(p-chlorophenyl)-acetonitril
2-(4-Chlorophenyl)acetonitrile
4-Chlor-benzyl-cyanid
4-chloro-benzeneacetonitril
4-Chlorobenzeneacetonitrile
4-chloro-Benzeneacetonitrile
Acetonitrile, (p-chlorophenyl)-
Benzeneacetonitrile,4-chloro-
chlorobenzylcyanide
-Chlorophenylacetonitrile
4-Chlorobenzyl cyanide/4-Chlorophenylacetonitrile
4-Cyanochlorobenzyl/4-Cyanobenzylchloride
[EINECS(EC#)]

205-418-9
[Molecular Formula]

C8H6ClN
[MDL Number]

MFCD00001918
[Molecular Weight]

151.59
[MOL File]

140-53-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellowish liquid after melting
[Melting point ]

25-28 °C(lit.)
[Boiling point ]

265-267 °C(lit.)
[density ]

1.19 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.543
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

0.3g/l
[form ]

Liquid After Melting
[color ]

Clear colorless to yellow
[BRN ]

971171
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChIKey]

IVYMIRMKXZAHRV-UHFFFAOYSA-N
[CAS DataBase Reference]

140-53-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetonitrile, 4-chloro-(140-53-4)
[EPA Substance Registry System]

140-53-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[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) .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

AL8250000
[Hazard Note ]

Irritant/Toxic
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium cyanide-->4-Chlorotoluene-->4-Chlorobenzyl chloride-->Benzyldodecyldimethylammonium bromide
[Preparation Products]

Fenvalerate-->Permethrin-->Myclobutanil-->2-(4-CHLOROPHENYL)-3-METHYLBUTYRONITRILE-->VALERATE-->brofenvalerate-->2-(4-Chlorophenyl)-3-methylbutyric acid-->Sibutramine-->4-Hydroxyphenylacetamide-->2-(4-CHLORO-PHENYL)-ETHANESULFONYL CHLORIDE-->2-(4-CHLOROPHENYL)-HEXANENITRILE-->4-Chlorophenethylamine-->Pyrimethamine-->2-(4-CHLOROPHENYL)INDANE-1,3-DIONE-->1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID-->5-(4-CHLOROPHENYL)PYRIMIDIN-4-AMINE-->Isopropyl(4-chlorophenyl)acetyl chloride-->2H-Pyran-3-carbonitrile, 3-(4-chlorophenyl)tetrahydro--->2-(4-CHLOROPHENYL)-2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]ACETONITRILE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chlorobenzyl cyanide(140-53-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellowish liquid after melting
[Uses]

4-Chlorobenzyl cyanide is an intermediate for the preparation of 3-methyl-2-(4-chlorophenyl)butyric acid, which can be used to prepare pyrethroid insecticides such as fenvalerate and deltamethrin, and can be used in medicine Industrial preparation of pyrimethamine.
[Definition]

ChEBI: A nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group.
[Preparation]

4-Chlorobenzyl cyanide is obtained by the reaction of 4-Chlorobenzyl chloride with sodium cyanide. Add 4-Chlorobenzyl chloride and Benzyldodecyldimethylammonium bromide into the reaction pot, heat to 100°C, slowly add sodium cyanide aqueous solution, and react at 100-104°C for 5h (add sodium cyanide for 3h, keep warm for 2h). Then add water to dissolve sodium chloride, and separate the water layer to obtain the crude benzyl chloride cyanide, which is distilled under reduced pressure to collect 160 (2.66kPa) fractions to obtain the finished product of 4-Chlorobenzyl cyanide. The yield is above 81%.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorobenzyl cyanide(140-53-4)MS
4-Chlorobenzyl cyanide(140-53-4)1HNMR
4-Chlorobenzyl cyanide(140-53-4)13CNMR
4-Chlorobenzyl cyanide(140-53-4)IR1
4-Chlorobenzyl cyanide(140-53-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chlorobenzyl cyanide, 98+%(140-53-4)
[Alfa Aesar]

4-Chlorophenylacetonitrile, 98+%(140-53-4)
[Sigma Aldrich]

140-53-4(sigmaaldrich)
[TCI AMERICA]

4-Chlorobenzyl Cyanide,>98.0%(GC)(140-53-4)
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