-
Name
3,5-DICHLORO-4-IODOBENZOTRIFLUORIDE
- EINECS
- CAS No. 175205-56-8
- Density 2.018 g/cm3
- Solubility
- Melting Point
- Formula C7H2Cl2F3I
- Boiling Point 244.663 °C at 760 mmHg
- Molecular Weight 340.90
- Flash Point 101.769 °C
- Transport Information
- Appearance
- Safety 23-26-36
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms BUTTPARK 96\50-28;3,5-DICHLORO-4-IODOBENZOTRIFLUORIDE;3,5-DICHLORO-4-IODOBENZTRIFLUORIDE;1,3-DICHLORO-2-IODO-5-(TRIFLUOROMETHYL)BENZENE;3,5-Dichloro-4-iodobenzotrifluoride 97%;3,5-Dichloro-4-iodobenzotrifluoride97%;1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene, 3,5-Dichloro-4-iodo-alpha,alpha,alpha-trifluorotoluene;3,5-DichloroI-4-iodobenzotrifluoride
- PSA 0.00000
- LogP 4.61680
Benzene,1,3-dichloro-2-iodo-5-(trifluoromethyl)- Specification
This chemical is called Benzene,1,3-dichloro-2-iodo-5-(trifluoromethyl)-, and its systematic name is 1,3-dichloro-2-iodo-5-(trifluoromethyl)benzene. With the molecular formula of C7H2Cl2F3I, its molecular weight is 340.90. The CAS registry number of this chemical is 175205-56-8.
Other characteristics of the Benzene,1,3-dichloro-2-iodo-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.737; (4)ACD/LogD (pH 7.4): 5.737; (5)ACD/BCF (pH 5.5): 13494.106; (6)ACD/BCF (pH 7.4): 13494.106; (7)ACD/KOC (pH 5.5): 31473.52; (8)ACD/KOC (pH 7.4): 31473.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 53.93 cm3; (14)Molar Volume: 168.918 cm3; (15)Polarizability: 21.379×10-24cm3; (16)Surface Tension: 35.331 dyne/cm; (17)Density: 2.018 g/cm3; (18)Flash Point: 101.769 °C; (19)Enthalpy of Vaporization: 46.221 kJ/mol; (20)Boiling Point: 244.663 °C at 760 mmHg; (21)Vapour Pressure: 0.047 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Do not breathe vapour. 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: c1c(cc(c(c1Cl)I)Cl)C(F)(F)F
2.InChI: InChI=1/C7H2Cl2F3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H
3.InChIKey: RLCCFAVBZGICHD-UHFFFAOYAR
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