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Cas Database |
| Name |
4-CHLOROBENZYL CYANIDE |
EINECS | 205-418-9 |
| CAS No. | 140-53-4 | Density | 1.188 g/cm3 |
| PSA | 23.79000 | LogP | 2.40608 |
| Solubility | N/A | Melting Point |
25-28 °C(lit.) |
| Formula | C8H6ClN | Boiling Point | 266 °C at 760 mmHg |
| Molecular Weight | 151.595 | Flash Point | 107.7 °C |
| Transport Information | UN 2811 6.1/PG 3 | Appearance | clear colorless to yellowish liquid after melting |
| Safety | 26-36/37/39-45-28B | Risk Codes | 23/24/25-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 T, Xi
|
| Synonyms |
Benzeneacetonitrile, 4-chloro-;4-Chlor-benzyl-cyanid [German];p-Chlorophenylacetonitrile;2-(4-Chlorophenyl)acetonitrile;(4-chlorophenyl)acetonitrile;(p-chlorophenyl)acetonitrile;4-chlorophenylacetonitrile;Acetonitrile, (p-chlorophenyl)-;4-Chloro Phenyl Acetonitrile;(4-Chlorophenyl)acetonitrilep-Chlorobenzyl cyanide;4-chloro benzyl cyanide;4-Cyanobenzylchloride; |
Article Data | 62 |
4-CHLOROBENZYL CYANIDE Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With benzyl alcohol; ethanol; N-benzyl-N,N,N-triethylammonium chloride at 80℃; for 2h; | 99% |
- 1679-18-1
4-Chlorophenylboronic acid
- 6011-14-9
2-aminoacetonitrile hydrochloride
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With sodium nitrite In water; toluene at 50℃; for 24h; Schlenk technique; | 99% |
- 139109-51-6
3-(4-chloro-phenyl)-2-hydroxyimino-propionic acid
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With 1,1'-carbonyldiimidazole In benzene 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h; | 94% |
| With 1,1'-oxalyldiimidazole In benzene 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h; | 93% |
Conditions
| Conditions | Yield |
|---|---|
| With titanium tetrachloride; tetraethylammonium tosylate In N,N-dimethyl-formamide electroreduction - 4 mA/cm2; | 91% |
Conditions
| Conditions | Yield |
|---|---|
| With tin(ll) chloride at 95℃; for 7h; Concentration; Temperature; | 91% |
- 14856-74-7
4-chlorobenzyltrimethylsilyl ether
- 10442-39-4
tetra-n-butylammonium cyanide
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20℃; for 0.0833333h; | 90% |
- 10442-39-4
tetra-n-butylammonium cyanide
- 873-76-7
para-Chlorobenzyl alcohol
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20℃; | 90% |
- 1200-16-4
1-chloro-4-[(methoxymethoxy)methyl]benzene
- 10442-39-4
tetra-n-butylammonium cyanide
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With 1-methyl-3H-imidazolium nitrate at 135 - 140℃; for 0.075h; Microwave irradiation; | 88% |
| With 1-(n-butyl)-3-methylimidazolium tetrachloroindate at 135 - 140℃; for 0.0833333h; Microwave irradiation; Neat (no solvent); chemoselective reaction; | 84% |
Conditions
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide | 87.4% |
| In dimethyl sulfoxide at 45 - 50℃; for 5h; |
- 2942-58-7
diethyl cyanophosphonate
- 910212-97-4
4-chlorobenzyl diphenylphosphinite
- 140-53-4
p-chlorobenzyl cyanide
Conditions
| Conditions | Yield |
|---|---|
| With 2,6-dimethyl-1,4-benzoquinone In chloroform at 20℃; for 24h; | 86% |
4-CHLOROBENZYL CYANIDE Chemical Properties
The molecular formula of 4-Chlorobenzyl cyanide(140-53-4) is C8H6ClN and its formula weight is 151.59.
The density of 4-Chlorobenzyl cyanide(140-53-4) is 1.19 g/mL at 20 °C(lit.) and it has a melting point of 25-28 °C(lit.). The boiling point is 265-267 °C(lit.). The refractive index is about 1.543. Its flash point is 230 °F and the vapor pressure is 1.0 (20 °C).
4-Chlorobenzyl cyanide(140-53-4) has the property of being dissolved in acetone and ethanol.
The chemical synonyms of 4-Chlorobenzyl cyanide(140-53-4) are (4-CHLOROPHENYL)ACETONITRILE;4-CHLOROBENZYL CYANIDE;CHLOROBENZYLCYANIDE-4;LABOTEST-BB LT00891700;TIMTEC-BB SBB004060;PCCN;P-CHLOROBENZYL CYANIDE;P-CHLOROPHENYLACETONITRILE
The molecular structure of 4-Chlorobenzyl cyanide(140-53-4):
The density of 4-Chlorobenzyl cyanide(140-53-4) is 1.19 g/mL at 20 °C(lit.) and it has a melting point of 25-28 °C(lit.). The boiling point is 265-267 °C(lit.). The refractive index is about 1.543. Its flash point is 230 °F and the vapor pressure is 1.0 (20 °C).
4-Chlorobenzyl cyanide(140-53-4) has the property of being dissolved in acetone and ethanol.
The chemical synonyms of 4-Chlorobenzyl cyanide(140-53-4) are (4-CHLOROPHENYL)ACETONITRILE;4-CHLOROBENZYL CYANIDE;CHLOROBENZYLCYANIDE-4;LABOTEST-BB LT00891700;TIMTEC-BB SBB004060;PCCN;P-CHLOROBENZYL CYANIDE;P-CHLOROPHENYLACETONITRILE
The molecular structure of 4-Chlorobenzyl cyanide(140-53-4):
4-CHLOROBENZYL CYANIDE Uses
Used as intermediates of pyrimethamine and for the synthesis of medicine and dyes.
4-CHLOROBENZYL CYANIDE Toxicity Data With Reference
| 1. | ipr-mus LD50:27 mg/kg | PCBPBS Pesticide Biochemistry and Physiology. 2 (1972),95. | ||
| 2. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#07883 . |
LD50/LC50: RTECS:
CAS# 140-53-4: Oral, rat: LD50 = 50 mg/kg;
Carcinogenicity: 4-Chlorobenzyl cyanide - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated. See actual entry in RTECS for complete information.
4-CHLOROBENZYL CYANIDE Consensus Reports
Reported in EPA TSCA Inventory.
4-CHLOROBENZYL CYANIDE Safety Profile
Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Hazard Codes T,Xi
Risk Statements 23/24/25-36/37/38
Safety Statements 26-36/37/39-45-28B
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS AL8250000
Hazard Note Irritant/Toxic
HazardClass 6.1
PackingGroup II
HS Code 29269095
Hazard Codes T,Xi
Risk Statements 23/24/25-36/37/38
Safety Statements 26-36/37/39-45-28B
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS AL8250000
Hazard Note Irritant/Toxic
HazardClass 6.1
PackingGroup II
HS Code 29269095
4-CHLOROBENZYL CYANIDE Specification
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials, temperatures above 40°C.
Incompatibilities with Other Materials: Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products: Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Conditions to Avoid: Incompatible materials, temperatures above 40°C.
Incompatibilities with Other Materials: Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Hazardous Decomposition Products: Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.
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4-Chlorobenzyl cyanide
