4-Iodobenzotrifluoride supplier

Name
4-Iodobenzotrifluoride
EINECS 207-234-4
CAS No. 455-13-0
Article Data42
CAS DataBase
Density 1.857 g/cm³
Solubility Insoluble in water.
Melting Point -8.3 °C
Formula C₇H₄F₃I
Boiling Point 186.3 °C at 760 mmHg
Molecular Weight 272.008
Flash Point 68.9 °C
Transport Information UN 1760
Appearance clear red to pink liquid
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi, T
Synonyms 4-(Trifluoromethyl)iodobenzene;4-(Trifluoromethyl)phenyl iodide;4-Iodo(trifluoromethyl)benzene;4-Iodo-1-(trifluoromethyl)benzene;4-Trifluoromethyl-1-iodobenzene;p-(Trifluoromethyl)iodobenzene;p-Iodo(trifluoromethyl)benzene;p-Iodobenzotrifluoride;a,a,a-Trifluoro-p-iodotoluene;Toluene,a,a,a-trifluoro-p-iodo- (8CI);1-Iodo-4-(trifluoromethyl)benzene;1-Trifluoromethyl-4-iodobenzene;
PSA 0.00000
LogP 3.31000

4-Iodobenzotrifluoride Specification

The IUPAC name of 4-Iodobenzotrifluoride is 1-iodo-4-(trifluoromethyl)benzene. With the CAS registry number 455-13-0, it is also named as Benzene, 1-iodo-4-(trifluoromethyl)-. The product's categories are Fluoro-contained Iodo Series; Fluorine Compounds; Iodine Compounds. It is clear red to pink liquid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 951.71; (6)ACD/BCF (pH 7.4): 951.71; (7)ACD/KOC (pH 5.5): 4716.42; (8)ACD/KOC (pH 7.4): 4716.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 44.13 cm³; (14)Molar Volume: 145 cm³; (15)Polarizability: 17.49×10^-24 cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Enthalpy of Vaporization: 40.52 kJ/mol; (18)Vapour Pressure: 0.917 mmHg at 25°C; (19)Exact Mass: 271.930978; (20)MonoIsotopic Mass: 271.930978; (21)Heavy Atom Count: 11; (22)Complexity: 124.

Uses of 4-Iodobenzotrifluoride: It can react with naphthalen-1-yl-phenyl-amine to get 4-(Trifluormethyl)triphenylamin. This reaction needs catalytic agents Cu, KOH and various solvent(s) at temperature of 160 °C. The reaction time is 24 hours. The yield is 56%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1ccc(I)cc1
2. InChI:InChI=1/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
3. InChIKey:SKGRFPGOGCHDPC-UHFFFAOYAT

Product Name

4-Iodobenzotrifluoride

4-Iodobenzotrifluoride Specification

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