Basic information
- Name:
3,4-Dichlorophenylacetonitrile
- CAS No.:
3218-49-3
- 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 Description:
- 26-37/39-36/37/39 Details
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
Molecular Structure of 3,4-dichlorophenylacetonitrile (CAS NO.3218-49-3):
.png)
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
Safety Profile
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
Specification
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.
