2-Chloro-5-fluorobenzonitrile supplier

Name
2-Chloro-5-fluorobenzonitrile
EINECS 260-714-5
CAS No. 57381-56-3
Article Data1
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point 65 °C
Formula C₇H₃ClFN
Boiling Point 228.676 °C at 760 mmHg
Molecular Weight 155.559
Flash Point 92.1 °C
Transport Information UN 3439
Appearance
Safety 26-36/37
Risk Codes 20/21/22-36/38
Molecular Structure
Hazard Symbols T
Synonyms 2-CHLORO-5-FLUOROBENZONITRILE;2-Chloro-5-fluorobenzonitrile 98%;2-Chloro-5-fluorobenzonitrile98%
PSA 23.79000
LogP 2.35078

2-Chloro-5-fluorobenzonitrile 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^-24 cm³; (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

Product Name

2-Chloro-5-fluorobenzonitrile

2-Chloro-5-fluorobenzonitrile Specification

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