Benzonitrile,3,5-dichloro-4-fluoro- supplier

Name
3,5-DICHLORO-4-FLUOROBENZONITRILE
EINECS
CAS No. 103879-31-8
Density 1.49 g/cm³
Solubility
Melting Point
Formula C₇H₂Cl₂FN
Boiling Point 235.2 °C at 760 mmHg
Molecular Weight 190.004
Flash Point 96.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-3,5-dichlorobenzonitrile;
PSA 23.79000
LogP 3.00418

Benzonitrile,3,5-dichloro-4-fluoro- Specification

The Benzonitrile,3,5-dichloro-4-fluoro- is an organic compound with the formula C₇H₂Cl₂FN. The systematic name of this chemical is3,5-dichloro-4-fluorobenzonitrile and the CAS registry number is 103879-31-8. In addition, the molecular weight is 190.0.

The other characteristics of Benzonitrile,3,5-dichloro-4-fluoro- can be summarized as: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 195.7; (6)ACD/BCF (pH 7.4): 195.7; (7)ACD/KOC (pH 5.5): 1520.28; (8)ACD/KOC (pH 7.4): 1520.28; (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^-24 cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 47.2 kJ/mol; (21)Boiling Point: 235.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0506 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1cc(cc(Cl)c1F)C#N
2. InChI:InChI=1/C7H2Cl2FN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
3. InChIKey:RIOPZMHLYZUNFX-UHFFFAOYAQ
4. Std. InChI:InChI=1S/C7H2Cl2FN/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H
5. Std. InChIKey:RIOPZMHLYZUNFX-UHFFFAOYSA-N

Product Name

3,5-DICHLORO-4-FLUOROBENZONITRILE

Benzonitrile,3,5-dichloro-4-fluoro- Specification

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