3-Chloro-4-iodobenzotrifluoride supplier

Name
3-CHLORO-4-IODOBENZOTRIFLUORIDE
EINECS
CAS No. 141738-80-9
Article Data2
CAS DataBase
Density 1.952 g/cm³
Solubility
Melting Point
Formula C₇H₃ClF₃I
Boiling Point 219.823 °C at 760 mmHg
Molecular Weight 306.454
Flash Point 86.746 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-36-22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 2-Chloro-4-(trifluoromethyl)iodobenzene;2-Chloro-1-iodo-4-(trifluoromethyl)benzene;
PSA 0.00000
LogP 3.96340

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

Product Name

3-CHLORO-4-IODOBENZOTRIFLUORIDE

3-Chloro-4-iodobenzotrifluoride Specification

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