CAS No.702641-06-3,2-Iodo-5-(trifluoromethyl)benzyl bromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	702641-06-3
Name:	2-Iodo-5-(trifluoromethyl)benzyl bromide
Article Data:	11

Formula:	C₈H₅BrF₃I
Molecular Weight:	364.931
Synonyms:	Benzene, 2-(bromomethyl)-1-iodo-4-(trifluoromethyl)-;
Density:	2.091 g/cm³
Boiling Point:	268.3 °C at 760 mmHg
Flash Point:	116 °C
PSA:	0.00000
LogP:	4.20490

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Specification

The 2-Iodo-5-(trifluoromethyl)benzyl bromide, with the CAS registry number of 702641-06-3, is also known as Benzene, 2-(bromomethyl)-1-iodo-4-(trifluoromethyl)-. Its molecular formula is C₈H₅BrF₃I and molecular weight is 364.926. What's more, its systematic name is 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene.

Physical properties about the 2-Iodo-5-(trifluoromethyl)benzyl bromide are: (1)ACD/LogP: 4.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.92; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 3243.89; (6)ACD/BCF (pH 7.4): 3243.89; (7)ACD/KOC (pH 5.5): 11345.28; (8)ACD/KOC (pH 7.4): 11345.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 56.78 cm³; (15)Molar Volume: 174.5 cm³; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 2.091 g/cm³; (18)Flash Point: 116 °C; (19)Enthalpy of Vaporization: 48.59 kJ/mol; (20)Boiling Point: 268.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0128 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cc(ccc1I)C(F)(F)F
(2) InChI: InChI=1/C8H5BrF3I/c9-4-5-3-6(8(10,11)12)1-2-7(5)13/h1-3H,4H2
(3) InChIKey: YEVQZPWSVWZAOB-UHFFFAOYAR