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CAS No.: | 14401-75-3 |
---|---|
Name: | 4-(4-CHLOROPHENOXY)IODOBENZENE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H6N2O5 |
Molecular Weight: | 210.146 |
Synonyms: | Acetophenone,3',5'-dinitro- (7CI,8CI);3,5-Dinitroacetophenone;3',5'-Dinitroacetophenone;NSC 87635; |
Density: | 1.452 g/cm3 |
Melting Point: | 81-85 °C(lit.) |
Boiling Point: | 267.3 °C at 760 mmHg |
Flash Point: | 114.5 °C |
Hazard Symbols: | R41-43:; |
Risk Codes: | 41-43 |
Safety: | 28-36/39 |
PSA: | 108.71000 |
LogP: | 2.75200 |
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This chemical is called Ethanone, 1-(3,5-dinitrophenyl)-, and its systematic name is 1-(3,5-dinitrophenyl)ethanone. With the molecular formula of C8H6N2O5, its molecular weight is 210.14. The CAS registry number of this chemical is 14401-75-3. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of the Ethanone, 1-(3,5-dinitrophenyl)- can be summarised as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 108.71 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 49.37 cm3; (9)Molar Volume: 144.6 cm3; (10)Polarizability: 19.57×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Density: 1.452 g/cm3; (13)Flash Point: 114.5 °C; (14)Enthalpy of Vaporization: 50.53 kJ/mol; (15)Boiling Point: 267.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00821 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical has risk of serious damage to the eyes. It may cause sensitization by skin contacting. After contacting with skin, wash immediately with plenty of soap-suds. Wear suitable protective clothing, gloves and eye/face protection if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)C
2.InChI: InChI=1/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3
3.InChIKey: WGJQPJOLPLYFJH-UHFFFAOYAM