-
Name
4-TRICHLOROMETHYLBENZONITRILE
- EINECS
- CAS No. 2179-45-5
- Article Data2
- CAS DataBase
- Density 1.45 g/cm3
- Solubility
- Melting Point 40-41 °C
- Formula C8H4Cl3N
- Boiling Point 304.1 °C at 760 mmHg
- Molecular Weight 220.485
- Flash Point 129.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Trichloromethylbenzonitrile;
- PSA 23.79000
- LogP 3.38498
Benzonitrile,4-(trichloromethyl)- Specification
The Benzonitrile,4-(trichloromethyl)-, with the CAS registry number of 2179-45-5, is also known as Trichloromethylbenzonitrile. This chemical's molecular formula is C8H4Cl3N and molecular weight is 220.48. What's more, its systematic name is 4-(Trichloromethyl)benzonitrile.
Physical properties about the Benzonitrile,4-(trichloromethyl)- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 50.45 cm3; (9)Molar Volume: 151.4 cm3; (10)Surface Tension: 50.7 dyne/cm; (11)Density: 1.45 g/cm3; (12)Flash Point: 129.3 °C; (13)Enthalpy of Vaporization: 54.45 kJ/mol; (14)Boiling Point: 304.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00089 mmHg at 25 °C.
Preparation: this chemical is prepared by 4-Methyl-benzonitrile. The reaction needs reagent Cl2O and solvent CCl4. The reaction temperature of 25 °C. The yield is about 99 %.
.png)
Uses: it is used to produce other chemicals. For example, it is used to produce 4,4'-(1,1,2,2-Tetrachloroethane-1,2-diyl)bis(benzonitrile). This reaction needs reagent FeCl2*4H2O. Meanwhile, it needs solvent Acetonitrile. The reaction time is 7 h with reaction temperature of 25 °C. The yield is about 91 %.
.png)
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)(Cl)c1ccc(C#N)cc1
(2) InChI: InChI=1/C8H4Cl3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
(3) InChIKey: KHBCTNHFESKSDC-UHFFFAOYAW
Related Products
- Benzonitrile, 2-amino-4-nitro-
- Benzonitrile, 2-chloro-3-formyl-
- Benzonitrile, 2-chloro-4-fluoro-3-methyl-
- Benzonitrile, 2-chloro-6-methoxy-
- Benzonitrile, 2-ethyl-
- Benzonitrile, 2-fluoro-3-methoxy- (9CI)
- Benzonitrile, 2-fluoro-6-(4-methylphenoxy)-
- Benzonitrile, 3-(1-piperazinyl)-
- Benzonitrile, 3,5-difluoro-4-formyl-
- Benzonitrile, 3-acetyl-2,6-dichloro-5-fluoro-
- 2179-57-9
- 2179-58-0
- 2179-59-1
- 217959-85-8
- 2179-60-4
- 217962-82-8
- 217968-14-4
- 21797-13-7
- 2179-79-5
- 2179-89-7
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View