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101987-86-4

Basic Information
CAS No.: 101987-86-4
Name: Benzenepropanoic acid,3-chloro-2,4,5-trifluoro-b-oxo-, ethyl ester
Molecular Structure:
Molecular Structure of 101987-86-4 (Benzenepropanoic acid,3-chloro-2,4,5-trifluoro-b-oxo-, ethyl ester)
Formula: C11H8ClF3O3
Molecular Weight: 280.63
Synonyms: Ethyl2-(3-chloro-2,4,5-trifluorobenzoyl)acetate;Ethyl3-chloro-2,4,5-trifluorobenzoylacetate;
EINECS: 1806241-263-5
Density: 1.413 g/cm3
Melting Point: 80-83 °C
Boiling Point: 325.25 °C at 760 mmHg
Flash Point: 129.961 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 43.37000
LogP: 2.89320
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  • Intermediate Of Sitafloxacin

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    101987-86-4

    Intermediate Of Sitafloxacin

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    Intermediate Of Sitafloxacin supplierAppearance:yellow liquid Storage:Keep away of light,cool place Package:25kg/drum;200kg/drum Application:Pharma Intermediate Transportation:Sea/air/courier

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  • Sitafloxacin intermediate 101987-86-4

  • Casno:

    101987-86-4

    Sitafloxacin intermediate 101987-86-4

    Min.Order: 1 Kilogram

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    Enbridge PharmTech Co., Ltd. is an innovative company integrated with R&D, manufacturing, marketing and distribution of intermediates and fine chemicals, mainly used to pharmaceuti

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  • ETHYL 3-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-3-OXOPROPANOATE

  • Casno:

    101987-86-4

    ETHYL 3-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)-3-OXOPROPANOATE

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    As a member of TAIHO Group,Hubei Taiho Chemical Co.,Ltd,is a professional new-type chemicals enterprise combined into research and development,production and sales.We adhere to the

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  • 101987-86-4

  • Casno:

    101987-86-4

    101987-86-4

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    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well

    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu P

  •  Nanjing Chemlin Chemical Co., Ltd.

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Specification

The systematic name of Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate is ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate. With the CAS registry number 101987-86-4, it is also named as Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate. In addition, its molecular formula is C11H8ClF3O3 and its molecular weight is 280.63.

The other characteristics of Ethyl 3-chloro-2,4,5-trifluorobenzoylacetate can be summarized as: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 422; (8)ACD/KOC (pH 7.4): 422; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 56.831 cm3; (15)Molar Volume: 198.546 cm3; (16)Polarizability: 22.529×10-24cm3; (17)Surface Tension: 38.256 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 129.961 °C; (20)Melting point 80-83 °C; (21)Enthalpy of Vaporization: 56.735 kJ/mol; (22)Boiling Point: 325.25 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc(c(F)c(Cl)c1F)C(=O)CC(=O)OCC
(2)InChI: InChI=1/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
(3)InChIKey: LZMXLCPYJNRWNQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
(5)Std. InChIKey: LZMXLCPYJNRWNQ-UHFFFAOYSA-N