Products Categories
CAS No.: | 3218-49-3 |
---|---|
Name: | 3,4-Dichlorophenylacetonitrile |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H5Cl2N |
Molecular Weight: | 186.04 |
Synonyms: | Acetonitrile,(3,4-dichlorophenyl)- (6CI,7CI,8CI);(3,4-Dichlorophenyl)acetonitrile;3,4-Dichlorobenzyl cyanide; |
EINECS: | 221-743-9 |
Density: | 1.333 g/cm3 |
Melting Point: | 39-42 °C(lit.) |
Boiling Point: | 308.6 °C at 760 mmHg |
Flash Point: | 125.9 °C |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39-36/37/39 |
PSA: | 23.79000 |
LogP: | 3.05948 |
2-aminoacetonitrile hydrochloride
3,4-dichlophenylboronic acid
3,4-dichloro-benzeneacetonitrile
Conditions | Yield |
---|---|
With sodium nitrite In water; toluene at 50℃; for 24h; Schlenk technique; | 85% |
3,4-dichlorophenyl acetic acid
N-cyano-N-phenyl-p-toluenesulfonamide
3,4-dichloro-benzeneacetonitrile
Conditions | Yield |
---|---|
Stage #1: 3,4-dichlorophenyl acetic acid With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 0.25h; Inert atmosphere; Stage #2: N-cyano-N-phenyl-p-toluenesulfonamide In tetrahydrofuran; hexane at 0 - 20℃; for 18h; Inert atmosphere; | 84% |
potassium cyanide
3,4-dichlorobenzyl bromide
3,4-dichloro-benzeneacetonitrile
Conditions | Yield |
---|---|
In ethanol; water for 4h; Heating; | 79% |
sodium cyanide
3,4-Dichlorophenylmethyl chloride
3,4-dichloro-benzeneacetonitrile
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 80℃; for 2h; | 65% |
In ethanol Heating; | |
In dimethyl sulfoxide at 40 - 50℃; for 5h; Yield given; |
potassium cyanide
3,4-Dichlorophenylmethyl chloride
3,4-dichloro-benzeneacetonitrile
Conditions | Yield |
---|---|
In ethanol; water |
Conditions | Yield |
---|---|
In water |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: PBr3 / CH2Cl2 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 57 percent / cerium(III) ammonium nitrate, potassium bromide / acetic acid / 1.5 h / 80 - 90 °C 2: 79 percent / ethanol; H2O / 4 h / Heating View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Br2 / Irradiation 2: H2O View Scheme |
What can I do for you?
Get Best Price
Molecular Structure of 3,4-dichlorophenylacetonitrile (CAS NO.3218-49-3):
IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile
Empirical Formula: C8H5Cl2N
Molecular Weight: 186.038
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 23.79 Å2
Index of Refraction: 1.565
Molar Refractivity: 45.5 cm3
Molar Volume: 139.5 cm3
Surface Tension: 46.2 dyne/cm
Density: 1.333 g/cm3
Flash Point: 125.9 °C
Enthalpy of Vaporization: 54.93 kJ/mol
Boiling Point: 308.6 °C at 760 mmHg
Vapour Pressure: 0.000673 mmHg at 25°C
EINECS: 221-743-9
Melting point: 39-42 °C(lit.)
BRN: 638749
InChI
InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
Smiles
N#CCc1cc(Cl)c(cc1)Cl
Product Categories: Chemical intermediate for Osanetant; Aromatic Phenylacetic Acids and Derivatives
Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 29269095
3,4-dichlorophenylacetonitrile , with CAS number of 3218-49-3, can be called Acetonitrile,(3,4-dichlorophenyl)- (6CI,7CI,8CI) ; (3,4-Dichlorophenyl)acetonitrile ; 3,4-Dichlorobenzeneacetonitrile ; 3,4-Dichlorobenzyl cyanide ; (3,4-Dichlorophenyl)acetonitrile ; Benzeneacetonitrile, 3,4-dichloro- . It is a white crystalline powder.