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21413-75-2

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Basic Information
CAS No.: 21413-75-2
Name: 1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 21413-75-2 (1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE)
Formula: C11H11ClO
Molecular Weight: 194.661
Synonyms: 2-Chloro-6, 7, 8, 9-tetrahydro-5H-benzo[7]annulen-5-one;
Density: 1.198 g/cm3
Boiling Point: 323.907 °C at 760 mmHg
PSA: 17.07000
LogP: 3.24910
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    5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro-

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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  • 5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro-

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    21413-75-2

    5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro-

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    We are a team of industry experts, dedicated to delivering the best chemical solutions from quality suppliers across China. Putting our customers first, we take a holistic approach

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  • 1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

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    21413-75-2

    1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

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    Hight quality, fast shipping, in stock or custom synthesis for the similar compound to meet your need. Storage:standard ambient conditions Package:1g, 5g, 10g, 25g, 50g,100g,500g,1kg,10kg Application:medical intermediate for R&D Transportation:FEDEX,

    LABTER PARMATECH(BEIJING) CO., LTD is a research-based manufacturer and world-wide supplier of various novel advanced building blocks and research chemicals for drug discovery,a go

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  • 1-chloro-6.7.8.9-tetrahydrobenzo[7]annulen-5-one manufacture

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    1-chloro-6.7.8.9-tetrahydrobenzo[7]annulen-5-one manufacture

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:send with COA Storage:keep sealed and keep from direct light Package:According client's requirements Application:Pharmaceutic

    Comoany:Zhengzhou Aixi Pharmtech Co.,Ltd Linkman:Yangming Ximeilan Tel:13674977265,1367694196 Email:1156707912@qq.com Addr:Jinshui District,Zhengzhou City,Nanyang Road About Us: O

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Specification

The 5H-Benzocyclohepten-5-one, 1-chloro-6, 7, 8, 9-tetrahydro- has the CAS registry number of 21413-75-2. This chemical's molecular formula is C11H11ClO and molecular weight is 194.66. What's more, its systematic name is 2-Chloro-6, 7, 8, 9-tetrahydro-5H-benzo[7]annulen-5-one.

Physical properties about 5H-Benzocyclohepten-5-one, 1-chloro-6, 7, 8, 9-tetrahydro- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 101; (6)ACD/BCF (pH 7.4): 101; (7)ACD/KOC (pH 5.5): 944; (8)ACD/KOC (pH 7.4): 944; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 52.676 cm3; (15)Molar Volume: 162.449 cm3; (16)Polarizability: 20.882×10-24 cm3; (17)Surface Tension: 42.58 dyne/cm; (18)Density: 1.198 g/cm3; (19)Flash Point: 162.183 °C; (20)Enthalpy of Vaporization: 56.588 kJ/mol; (21)Boiling Point: 323.907 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: c1cc2c(cc1Cl)CCCCC2=O
(2) InChI: InChI=1/C11H11ClO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4H2
(3) InChIKey: IJVMAZHBJAEZEB-UHFFFAOYAX