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Cas Database |
| Name |
4-(Chloromethyl)tolunitrile |
EINECS | 212-869-5 |
| CAS No. | 874-86-2 | Density | 1.18 g/cm3 |
| PSA | 23.79000 | LogP | 2.29708 |
| Solubility | N/A | Melting Point |
77 °C |
| Formula | C8H6ClN | Boiling Point | 271 °C at 760 mmHg |
| Molecular Weight | 151.595 | Flash Point | 120.2 °C |
| Transport Information | UN 3276 | Appearance | White to light yellow crystal powder |
| Safety | 23-36-45-36/37/39-26 | Risk Codes | 20/21-65-36/37/38-32-23/25 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
NSC 6307;p-(Chloromethyl)benzonitrile;p-Cyanobenzyl chloride;a-Chloro-p-cyanotoluene;a-Chloro-p-tolunitrile;a-Chloro-p-toluonitrile;p-Tolunitrile,a-chloro- (6CI,7CI,8CI);(4-Cyanophenyl)methyl chloride;4-(Chloromethyl)benzeneacetonitrile;4-Chloromethylbenzonitrile;NSC 44855;4-(Chloromethyl)tolunitrile; |
Article Data | 27 |
4-(Chloromethyl)tolunitrile Synthetic route
- 17201-43-3
4-cyanobenzyl bromide
- 874-86-2
4-cyanobenzyl chloride
| Conditions | Yield |
|---|---|
| With lithium chloride In tetrahydrofuran at 25℃; Reflux; Inert atmosphere; | 97% |
| With acetyl chloride In N,N-dimethyl-formamide for 2h; Heating; |
| Conditions | Yield |
|---|---|
| With formic acid; 5,10,15,20‐tetrakis‐(4‐sulfonatophenyl)‐porphyrin‐iron(III) chloride; sodium nitrite In acetonitrile at 70℃; for 4.5h; | 96.2% |
| With formic acid; sodium nitrite In acetonitrile at 70℃; for 4h; Schlenk technique; | 95% |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; N-hydroxyphthalimide; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 16h; Time; Sealed tube; Inert atmosphere; | 75% |
| With N-hydroxyphthalimide; carbon tetrabromide; trichloroisocyanuric acid; copper(II) acetate monohydrate In dichloromethane at 25℃; for 24h; | 70% |
| Stage #1: para-methylbenzonitrile With fluorosulphonic acid; lead dioxide at -40℃; for 5h; Stage #2: With hydrogenchloride | 28% |
- 104-85-8
para-methylbenzonitrile
A
- 74231-65-5
1-(dichloromethyl)-4-cyanobenzene
B
- 874-86-2
4-cyanobenzyl chloride
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); benzyl(trimethyl)ammonium tetrachloroiodate In tetrachloromethane for 6h; Heating; | A 7 % Spectr. B 58 % Spectr. |
| With chlorine at 210℃; | |
| With 2,2'-azobis(isobutyronitrile); benzyl(trimethyl)ammonium tetrachloroiodate In tetrachloromethane for 4h; Heating; | A 7 % Spectr. B 58 % Spectr. |
- 7782-50-5
chlorine
- 104-85-8
para-methylbenzonitrile
A
- 74231-65-5
1-(dichloromethyl)-4-cyanobenzene
B
- 874-86-2
4-cyanobenzyl chloride
| Conditions | Yield |
|---|---|
| With sodium chloride; sulfuric acid; sodium thiosulfate; sodium nitrite In water |
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride In dichloromethane | A 17.5 %Spectr. B 6.2 %Spectr. |
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride In dichloromethane | 100 %Spectr. |
- 874-86-2
4-cyanobenzyl chloride
- 56105-98-7
sodium (4-cyanophenyl)methanesulfonate
| Conditions | Yield |
|---|---|
| With sodium sulfite In water; acetone for 4h; Heating / reflux; | 100% |
4-(Chloromethyl)tolunitrile Chemical Properties
The molecular formula of p-Cyanobenzyl chloride(874-86-2) is C8H6ClN and its formula weight is 151.59.
p-Cyanobenzyl chloride(874-86-2) has a melting point of 77 °C. The boiling point is 263 °C.
The chemical synonyms of p-Cyanobenzyl chloride(874-86-2) are Benzonitrile, 4-(chloromethyl)-;ALPHA-CHLORO-P-TOLUNITRILE;AKOS B030136;4-CYANOBENZYL CHLORIDE;4-(CHLOROMETHYL)BENZONITRILE;P-CYANOBENZYL CHLORIDE;P-(CHLOROMETHYL)BENZONITRILE;4-(Chloromethyl)benzonitrile, 98+%
The molecular structure of p-Cyanobenzyl chloride(874-86-2):
4-(Chloromethyl)tolunitrile Safety Profile
Hazard Codes T
Risk Statements 20/21-65-36/37/38-32-23/25
Safety Statements 23-36-45-36/37/39-26
RIDADR 3276
HazardClass 8
PackingGroup III
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