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13334-00-4

Basic Information
CAS No.: 13334-00-4
Name: (2-TRIFLUOROMETHYL-PHENYLTHIO)-ACETIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 13334-00-4 ((2-TRIFLUOROMETHYL-PHENYLTHIO)-ACETIC ACID)
Formula: C9H7F3O2S
Molecular Weight: 220.21
Synonyms: Aceticacid, [(a,a,a-trifluoro-o-tolyl)thio]- (8CI);Acetic acid,[[2-(trifluoromethyl)phenyl]thio]- (9CI);
Density: 1.44 g/cm3
Boiling Point: 307.6 °C at 760 mmHg
Flash Point: 139.8 °C
PSA: 52.32000
LogP: 3.13330
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  • Shanghai Run-Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-21-31576854/57171705 / 57171706

    Address:second floor, building 3, No.999, jiangyue Road, minghang District, Shanghai, China

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  • 2-(Trifluoromethyl)phenylthioacetic acid

  • Casno:

    13334-00-4

    2-(Trifluoromethyl)phenylthioacetic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

  • PRIME MOLECULAR CO.,LIMITED

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0852-0755-61104662

    Address:Hong Kong

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  • 2-Trifluoromethyl phenyl thioacetic acid

  • Casno:

    13334-00-4

    2-Trifluoromethyl phenyl thioacetic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Hangzhou Keying Chem Co., Ltd. Is a comprehensive enterprise, dedicated to the development, production and marketing of chemicals. As a technology innovative and service professional enterprise, Our company mainly engages in global pharmaceutical, ch

    Hangzhou Fenjunchem Co.,Ltd dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s); Nutr

  • Hangzhou Fenjun Chemical Co Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-0571-56263321

    Address:hangzhou

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  • 2-[2-(trifluoromethyl)phenyl]ethanethioic S-acid

  • Casno:

    13334-00-4

    2-[2-(trifluoromethyl)phenyl]ethanethioic S-acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

    Tel:+44 (0)208 191 7890

    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The Acetic acid,2-[[2-(trifluoromethyl)phenyl]thio]-, with CAS registry number 13334-00-4, has the systematic name of {[3-(trifluoromethyl)phenyl]sulfanyl}acetic acid. Besides this, it is also called (2-Trifluoromethyl-phenylthio)-acetic acid. And the chemical formula of this chemical is C9H7F3O2S.

Physical properties of Acetic acid,2-[[2-(trifluoromethyl)phenyl]thio]-: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.66 cm3; (15)Molar Volume: 163.7 cm3; (16)Polarizability: 20.08×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 139.8 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 307.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000311 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(SCC(=O)O)ccc1
(2)InChI: InChI=1/C9H7F3O2S/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
(3)InChIKey: YBUZSRSMQIEFBR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H7F3O2S/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
(5)Std. InChIKey: YBUZSRSMQIEFBR-UHFFFAOYSA-N