4-Iodo-3-nitrobenzotrifluorid supplier

Name
4-IODO-3-NITROBENZOTRIFLUORIDE
EINECS
CAS No. 400-97-5
Article Data12
CAS DataBase
Density 2.02 g/cm³
Solubility
Melting Point
Formula C₇H₃F₃INO₂
Boiling Point 261 °C at 760 mmHg
Molecular Weight 317.006
Flash Point 111.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Toluene, a,a,a-trifluoro-4-iodo-3-nitro- (8CI);
PSA 45.82000
LogP 3.74140

4-Iodo-3-nitrobenzotrifluorid Specification

The Benzene,1-iodo-2-nitro-4-(trifluoromethyl)- is an organic compound with the formula C₇H₃F₃INO₂. The systematic name of this chemical is 1-iodo-2-nitro-4-(trifluoromethyl)benzene. With the CAS registry number 400-97-5, it is also named as 4-Iodo-3-nitrobenzotrifluoride.

Physical properties about Benzene,1-iodo-2-nitro-4-(trifluoromethyl)- are: (1)D/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 483.51; (5)ACD/BCF (pH 7.4): 483.51; (6)ACD/KOC (pH 5.5): 2904.71; (7)ACD/KOC (pH 7.4): 2904.71; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 50.68 cm³; (13)Molar Volume: 156.8 cm³; (14)Polarizability: 20.09×10^-24cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 2.02 g/cm³; (17)Flash Point: 111.7 °C; (18)Enthalpy of Vaporization: 47.86 kJ/mol; (19)Boiling Point: 261 °C at 760 mmHg; (20)Vapour Pressure: 0.0192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(ccc1I)C(F)(F)F
(2)InChI: InChI=1/C7H3F3INO2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H
(3)InChIKey: CIDKWMAVWQNYNV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H3F3INO2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H
(5)Std. InChIKey: CIDKWMAVWQNYNV-UHFFFAOYSA-N

Product Name

4-IODO-3-NITROBENZOTRIFLUORIDE

4-Iodo-3-nitrobenzotrifluorid Specification

Related Products

Hot Products