2,6-Difluoro-4-methoxybenzonitrile supplier

Name
2,6-Difluoro-4-methoxybenzonitrile
EINECS
CAS No. 123843-66-3
Article Data4
CAS DataBase
Density 1.279 g/cm³
Solubility
Melting Point 53-57℃
Formula C₈H₅F₂NO
Boiling Point 211.683 °C at 760 mmHg
Molecular Weight 169.131
Flash Point 81.823 °C
Transport Information UN 3439
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Difluoro-4-methoxybenzonitrile;2,6-difluoro-4-methoxybenzonitrile;Benzonitrile, 2,6-difluoro-4-methoxy-;NCR BF FF DO1;
PSA 33.02000
LogP 1.84508

2,6-Difluoro-4-methoxybenzonitrile Specification

The 2,6-Difluoro-4-methoxybenzonitrile, with the CAS registry number 123843-66-3, has the systematic name and IUPAC name of 2,6-difluoro-4-methoxybenzonitrile. It belongs to the product category of Aromatic Nitriles. And the molecular formula of the chemical is C₈H₅F₂NO.

The characteristics of 2,6-Difluoro-4-methoxybenzonitrile are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.77; (6)ACD/BCF (pH 7.4): 11.77; (7)ACD/KOC (pH 5.5): 203.22; (8)ACD/KOC (pH 7.4): 203.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 37.91 cm³; (15)Molar Volume: 132.1 cm³; (16)Polarizability: 15.02×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 81.8 °C; (20)Enthalpy of Vaporization: 44.8 kJ/mol; (21)Boiling Point: 211.7 °C at 760 mmHg; (22)Vapour Pressure: 0.18 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(C#N)c(F)cc(OC)c1
(2)InChI: InChI=1/C8H5F2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3
(3)InChIKey: CMGFDVIQHBAJHT-UHFFFAOYAP

Product Name

2,6-Difluoro-4-methoxybenzonitrile

2,6-Difluoro-4-methoxybenzonitrile Specification

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