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CAS No.: | 18640-60-3 |
---|---|
Name: | 1-(5-CHLORO-2-NITROPHENYL)-1-ETHANONE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C8H6ClNO3 |
Molecular Weight: | 199.594 |
Synonyms: | Acetophenone,5'-chloro-2'-nitro- (8CI);1-(5-Chloro-2-nitrophenyl)ethanone;5-Chloro-2-nitroacetophenone;5'-Chloro-2'-nitroacetophenone;NSC 81223; |
Density: | 1.378 g/cm3 |
Melting Point: | 58-61 °C |
Boiling Point: | 332.2 °C at 760 mmHg |
Flash Point: | 154.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 62.89000 |
LogP: | 2.97400 |
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The Ethanone,1-(5-chloro-2-nitrophenyl)-, with the CAS registry number 18640-60-3, is also known as 5-Chloro-2-nitroacetophenone. This chemical's molecular formula is C8H6ClNO3 and molecular weight is 199.59. What's more, its systematic name is 1-(5-Ethyl-2-hydroxyphenyl)ethanone. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about Ethanone,1-(5-chloro-2-nitrophenyl)-: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.89 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 47.72 cm3; (9)Molar Volume: 144.7 cm3; (10)Surface Tension: 49.4 dyne/cm; (11)Density: 1.378 g/cm3; (12)Flash Point: 154.7 °C; (13)Enthalpy of Vaporization: 57.5 kJ/mol; (14)Boiling Point: 332.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000148 mmHg at 25°C; (16)Melting point: 58-61 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(cc(Cl)cc1)C(=O)C
(2) InChI: InChI=1/C8H6ClNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3
(3) InChIKey: HVXQVXNQKCPSLH-UHFFFAOYAS