2,4-Dichloro-5-fluorobenzonitrile supplier

Name
2,4-DICHLORO-5-FLUOROBENZONITRILE
EINECS
CAS No. 128593-93-1
Density 1.49 g/cm³
Solubility at 25 deg C (mg/L): 69.09
Melting Point 46-48 °C
Formula C₇H₂Cl₂FN
Boiling Point 259.2 °C at 760 mmHg
Molecular Weight 190.004
Flash Point 110.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Dichloro-5-fluorobenzonitrile;benzonitrile, 2,4-dichloro-5-fluoro-;NCR BG DG EF;
PSA 23.79000
LogP 3.00418

2,4-Dichloro-5-fluorobenzonitrile Specification

The 2,4-Dichloro-5-fluorobenzonitrile, with the CAS registry number 128593-93-1, is also called benzonitrile, 2,4-dichloro-5-fluoro-. It belongs to the product categories of Aromatic Nitriles and Nitrile. And the molecular formula of the chemical is C₇H₂Cl₂FN.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.81; (6)ACD/BCF (pH 7.4): 59.81; (7)ACD/KOC (pH 5.5): 650.77; (8)ACD/KOC (pH 7.4): 650.77; (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: 1.558; (14)Molar Refractivity: 41.08 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 16.28×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 110.6 °C; (20)Enthalpy of Vaporization: 49.68 kJ/mol; (21)Boiling Point: 259.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0131 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(C#N)c(Cl)cc1Cl
(2)InChI: InChI=1/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H
(3)InChIKey: XZBZWBDTFUFZSU-UHFFFAOYAT

Product Name

2,4-DICHLORO-5-FLUOROBENZONITRILE

2,4-Dichloro-5-fluorobenzonitrile Specification

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