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3-Chloro-4-iodobenzotrifluoride

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Name

3-Chloro-4-iodobenzotrifluoride

EINECS N/A
CAS No. 141738-80-9 Density 1.952 g/cm3
PSA 0.00000 LogP 3.96340
Solubility N/A Melting Point N/A
Formula C7H3ClF3I Boiling Point 219.823 °C at 760 mmHg
Molecular Weight 306.454 Flash Point 86.746 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-36-22
Molecular Structure Molecular Structure of 141738-80-9 (3-CHLORO-4-IODOBENZOTRIFLUORIDE) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

2-Chloro-4-(trifluoromethyl)iodobenzene;2-Chloro-1-iodo-4-(trifluoromethyl)benzene;

Article Data 2

3-Chloro-4-iodobenzotrifluoride Specification

This chemical is called Benzene, 2-chloro-1-iodo-4-(trifluoromethyl)-, and its systematic name is 2-Chloro-1-iodo-4-(trifluoromethyl)benzene. With the molecular formula of C7H3ClF3I, its CAS registry number is 141738-80-9. Additionally, its product categories are Miscellaneous; Aryl; C7; Halogenated Hydrocarbons.

Other characteristics of the Benzene, 2-chloro-1-iodo-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 5967.97; (6)ACD/BCF (pH 7.4): 5967.97; (7)ACD/KOC (pH 5.5): 17552.1; (8)ACD/KOC (pH 7.4): 17552.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 49.03 cm3; (14)Molar Volume: 156.9 cm3; (15)Polarizability: 19.43×10-24cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 1.952 g/cm3; (18)Flash Point: 86.7 °C; (19)Enthalpy of Vaporization: 43.77 kJ/mol; (20)Boiling Point: 219.8 °C at 760 mmHg; (21)Vapour Pressure: 0.173 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating and harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Ic1ccc(cc1Cl)C(F)(F)F
2.InChI: InChI=1/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
3.InChIKey: ULJRBVGSKAKZKQ-UHFFFAOYAV

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