3-Chloro-5-(trifluoromethyl)benzonitrile supplier

Name
5-CHLORO-3-CYANOBENZOTRIFLUORIDE
EINECS
CAS No. 693245-52-2
Density 1.432 g/cm³
Solubility
Melting Point
Formula C₈H₃ClF₃N
Boiling Point 197.921 °C at 760 mmHg
Molecular Weight 205.56
Flash Point 73.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Chloro-5-(trifluoromethyl)benzonitrile;5-chloro-3-(trifluoromethyl)benzenecarbonitrile;
PSA 23.79000
LogP 3.23048

3-Chloro-5-(trifluoromethyl)benzonitrile Specification

The CAS register number of Benzonitrile, 3-chloro-5-(trifluoromethyl)- is 693245-52-2. It also can be called as 5-chloro-3-(trifluoromethyl)benzenecarbonitrile and the systematic name about this chemical is 3-chloro-5-(trifluoromethyl)benzonitrile. The molecular formula about this chemical is C₈H₃ClF₃N and the molecular weight is 205.56.

Physical properties about Benzonitrile, 3-chloro-5-(trifluoromethyl)- are: (1)ACD/LogP: 2.62; (2)ACD/LogD (pH 5.5): 2.624; (3)ACD/LogD (pH 7.4): 2.624; (4)ACD/BCF (pH 5.5): 58.105; (5)ACD/BCF (pH 7.4): 58.105; (6)ACD/KOC (pH 5.5): 637.438; (7)ACD/KOC (pH 7.4): 637.438; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å²; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 41.138 cm³; (12)Molar Volume: 143.544 cm³; (13)Polarizability: 16.308x10^-24cm³; (14)Surface Tension: 36.221 dyne/cm; (15)Enthalpy of Vaporization: 43.412 kJ/mol; (16)Boiling Point: 197.921 °C at 760 mmHg; (17)Vapour Pressure: 0.369 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(cc1C(F)(F)F)Cl)C#N
(2)InChI: InChI=1/C8H3ClF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
(3)InChIKey: RLHYYDKFOQSWIB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H3ClF3N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
(5)Std. InChIKey: RLHYYDKFOQSWIB-UHFFFAOYSA-N

Product Name

5-CHLORO-3-CYANOBENZOTRIFLUORIDE

3-Chloro-5-(trifluoromethyl)benzonitrile Specification

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