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| CAS No.: | 57381-56-3 |
|---|---|
| Name: | 2-Chloro-5-fluorobenzonitrile |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H3ClFN |
| Molecular Weight: | 155.559 |
| Synonyms: | 2-CHLORO-5-FLUOROBENZONITRILE;2-Chloro-5-fluorobenzonitrile 98%;2-Chloro-5-fluorobenzonitrile98% |
| EINECS: | 260-714-5 |
| Density: | 1.339 g/cm3 |
| Melting Point: | 65 °C |
| Boiling Point: | 228.676 °C at 760 mmHg |
| Flash Point: | 92.1 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 20/21/22-36/38 |
| Safety: | 26-36/37 |
| Transport Information: | UN 3439 |
| PSA: | 23.79000 |
| LogP: | 2.35078 |
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Specification
The Benzonitrile,2-chloro-5-fluoro- with the CAS number 57381-56-3 is also called 2-Chloro-5-fluorobenzonitrile. Its molecular formula is C7H3ClFN. The EINECS registry number is 260-714-5. The product category is Nitrile. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Benzonitrile,2-chloro-5-fluoro- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.75; (6)ACD/BCF (pH 7.4): 18.75; (7)ACD/KOC (pH 5.5): 283.72; (8)ACD/KOC (pH 7.4): 283.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 36.26 cm3; (15)Molar Volume: 116.1 cm3; (16)Polarizability: 14.37×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 46.53 kJ/mol; (19)Vapour Pressure: 0.0725 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(F)ccc1Cl
(2)InChI: InChI=1/C7H3ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
(3)InChIKey: HBTXAKDVIXNVHZ-UHFFFAOYAU