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CAS No.: | 97760-76-4 |
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Name: | 4'-Amino-3'-chloro-5'-(trifluoromethyl)acetophenon |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H7ClF3NO |
Molecular Weight: | 237.609 |
Synonyms: | 4'-Amino-3'-chloro-5'-(trifluoromethyl)acetophenon;1-(4-amino-3-chloro-5-(trifluoromethyl)phenyl)ethanone; |
Density: | 1.408 g/cm3 |
Melting Point: | 132-134 °C |
Boiling Point: | 288.415 °C at 760 mmHg |
Flash Point: | 128.229 °C |
PSA: | 43.09000 |
LogP: | 3.72480 |
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The CAS register number of 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanone is 97760-76-4. It also can be called as 4'-Amino-3'-chloro-5'-(trifluoromethyl)acetophenon. The molecular formula about this chemical is C9H7ClF3NO and the molecular weight is 237.6062.
Physical properties about 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]ethanone are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 444; (5)ACD/BCF (pH 7.4): 444; (6)ACD/KOC (pH 5.5): 2731; (7)ACD/KOC (pH 7.4): 2731; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.09 Å2; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 50.392 cm3; (14)Molar Volume: 168.705 cm3; (15)Polarizability: 19.977x10-24cm3; (16)Surface Tension: 35.35 dyne/cm; (17)Density: 1.408 g/cm3; (18)Flash Point: 128.229 °C; (19)Enthalpy of Vaporization: 52.765 kJ/mol; (20)Boiling Point: 288.415 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1c(cc(cc1Cl)C(C)=O)C(F)(F)F
(2)InChI: InChI=1/C9H7ClF3NO/c1-4(15)5-2-6(9(11,12)13)8(14)7(10)3-5/h2-3H,14H2,1H3
(3)InChIKey: GVPVKKWXJXESIC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H7ClF3NO/c1-4(15)5-2-6(9(11,12)13)8(14)7(10)3-5/h2-3H,14H2,1H3
(5)Std. InChIKey: GVPVKKWXJXESIC-UHFFFAOYSA-N