CAS No.157021-61-9,2,6-DICHLORO-4-(TRIFLUOROMETHYL)BENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157021-61-9
Name:	2,6-DICHLORO-4-(TRIFLUOROMETHYL)BENZONITRILE
Article Data:	1

Formula:	C₈H₂Cl₂F₃N
Molecular Weight:	240.012
Synonyms:	2,6-Dichloro-4-(trifluoromethyl)benzonitrile;3,5-Dichloro-4-cyanobenzotrifluoride;
Density:	1.55 g/cm³
Boiling Point:	259.116 °C at 760 mmHg
Flash Point:	110.51 °C
Hazard Symbols:	T
Risk Codes:	20/21/22-36/37/38
Safety:	23-26-36/37/39
PSA:	23.79000
LogP:	3.88388

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Specification

The Benzonitrile,2,6-dichloro-4-(trifluoromethyl)- is an organic compound with the formula C₈H₂Cl₂F₃N. The IUPAC name of this chemical is 2,6-Dichloro-4-(trifluoromethyl)benzonitrile. With the CAS registry number 157021-61-9, it is also named as 4-Cyano-3,5-dichlorobenzotrifluoride. Besides, its molecular weight is 240.01.

Physical properties about Benzonitrile,2,6-dichloro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.427; (3)ACD/LogD (pH 7.4): 3.427; (4)ACD/BCF (pH 5.5): 236.907; (5)ACD/BCF (pH 7.4): 236.907; (6)ACD/KOC (pH 5.5): 1743.126; (7)ACD/KOC (pH 7.4): 1743.126; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Å²; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 45.965 cm³; (12)Molar Volume: 154.625 cm³; (13)Polarizability: 18.222×10^-24 cm³; (14)Surface Tension: 40.174 dyne/cm; (15)Density: 1.552 g/cm³; (16)Flash Point: 110.51 °C; (17)Enthalpy of Vaporization: 49.675 kJ/mol; (18)Boiling Point: 259.116 °C at 760 mmHg; (19)Vapour Pressure: 0.013 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer), and wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
(2)InChIKey: NCXSSFQXQAOREM-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
(4)Std. InChIKey: NCXSSFQXQAOREM-UHFFFAOYSA-N