3-Chlorobenzyl cyanide Chemical Properties

Melting point:

11-13 °C(lit.)

Boiling point:

134-136 °C10 mm Hg(lit.)

Density 

1.283 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.544(lit.)

Flash point:

>230 °F

storage temp. 

Store at room temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

clear liquid

color 

Colorless to Light yellow to Light orange

Specific Gravity

1.280～1.282

BRN 

2042965

Exposure limits

NIOSH: IDLH 25 mg/m3

Stability:

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

InChIKey

GTIKLPYCSAMPNG-UHFFFAOYSA-N

CAS DataBase Reference

1529-41-5(CAS DataBase Reference)

NIST Chemistry Reference

Benzeneacetonitrile, 3-chloro-(1529-41-5)

Safety Information

Hazard Codes 

T

Risk Statements 

23/24/25-36/37/38

Safety Statements 

36/37/39-45-28B

RIDADR 

UN 3276 6.1/PG 1

WGK Germany 

3

RTECS 

AL8240000

HazardClass 

6.1

PackingGroup 

II

HS Code 

29269090

Toxicity

mouse,LD50,intraperitoneal,38mg/kg (38mg/kg),PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.

MSDS

• Language:English Provider:3-Chlorobenzyl cyanide
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-Chlorobenzyl cyanide Usage And Synthesis

Chemical Properties

colourless liquid

Uses

3-Chlorobenzyl Cyanide is a useful synthetic intermediate. It was used to design EGFR Tyrosine Kinase Inhibitors. It can also be used to synthesize imidoyl thioureas as non-nucleoside reverse transcriptase inhibitors.

Synthesis

GENERAL METHOD: 3-chlorobenzyl chloride (1.0 mmol) and sodium cyanide (2 mmol) were dissolved in water (5 mL) and polyethylene glycol modified diisocyanate (PEG-MDIL, 0.2 g) was added. The reaction suspension was magnetically stirred under reflux conditions for the reaction time shown in Table 2. After completion of the reaction, the mixture was extracted with ether (2 × 10 mL). The organic extracts were combined and dried with anhydrous calcium chloride and subsequently concentrated under reduced pressure. By this method, the target product 3-chlorobenzeneacetonitrile was obtained in good to excellent yields (Scheme 3).

References

[1] Journal of Molecular Liquids, 2015, vol. 202, p. 34 - 39

3-Chlorobenzyl cyanide(1529-41-5)Related Product Information

• 4-(Diethylamino)salicylaldehyde
• Cyhalothrin
• Pralmorelin
• 3-Chlorobenzyl chloride
• Copper(I) Cyanide
• 5-Chlorovaleric acid
• Diphenolic acid
• DL-α-Tocopherol
• BETA-CYPERMETHRIN
• theta-Cypermethrin
• λ-Cyhalothrin
• Lorcaserin 5-Methyl Isomer HCl
• 3-(3-CHLOROPHENYLETHYL)PYRIDINE N-OXIDE
• 3-Pyridineacrylonitrile, α-(m-chlorophenyl)-β-hydroxy- (8CI)
• 1-[[2-(4-Chlorophenyl)ethyl]amino]-2-chloropropane hydrochloride
• Lorcaserin Impurity 3
• Lorcaserin Sulfamate
• Lorcaserin Impurity 3