2-Bromo-4-(trifluoromethyl)benzonitrile supplier

Name
2-BROMO-4-(TRIFLUOROMETHYL)BENZONITRILE
EINECS 252-715-4
CAS No. 35764-15-9
Density 1.71g/cm³
Solubility
Melting Point
Formula C₈H₃BrF₃N
Boiling Point 252.3 °C at 760 mmHg
Molecular Weight 250.02
Flash Point 106.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-(trifluoromethyl)benzonitrile;
PSA 23.79000
LogP 3.33958

2-Bromo-4-(trifluoromethyl)benzonitrile Specification

The Benzonitrile,2-bromo-4-(trifluoromethyl)- with the CAS number 35764-15-9 is also called 2-Bromo-4-(trifluoromethyl)benzonitrile. Its molecular formula is C₈H₃BrF₃N. The EINECS registry number is 252-715-4. The product category is Nitrile. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Benzonitrile,2-bromo-4-(trifluoromethyl)- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.67; (6)ACD/BCF (pH 7.4): 92.67; (7)ACD/KOC (pH 5.5): 890.35; (8)ACD/KOC (pH 7.4): 890.35; (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: 1.517; (14)Molar Refractivity: 44.03 cm³; (15)Molar Volume: 145.4 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 48.96 kJ/mol; (19)Vapour Pressure: 0.0195 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1Br)C(F)(F)F
(2)InChI: InChI=1/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
(3)InChIKey: YQDJZASWOJHHGY-UHFFFAOYAF

Product Name

2-BROMO-4-(TRIFLUOROMETHYL)BENZONITRILE

2-Bromo-4-(trifluoromethyl)benzonitrile Specification

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