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119385-80-7

Basic Information
CAS No.: 119385-80-7
Name: 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 119385-80-7 (3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID)
Formula: C7H4F3NO2
Molecular Weight: 191.109
Synonyms: 3-Amino-2,4,5-trifluorobenzoicacid;
Density: 1.635 g/cm3
Melting Point: 133-136 °C
Boiling Point: 306.4 °C at 760 mmHg
Flash Point: 139.1 °C
Hazard Symbols: Xi
PSA: 63.32000
LogP: 1.96550
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  • 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    119385-80-7

    3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

    Our company has been engaged in the Pharmaceutical raw material and pharmaceutical intermediates medicine material intermediates and related chemical industry for more than ten ye

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  • 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    Adequate stocks available,prompt shipment,Strictly control on quality,Timely after-sales Application:Intermediate

    Skyrun Industrial Co.Limited (CSR Ind), established in 2003, a state-controlled company(By Skyrun Corp. & High Hope) in China, specializing in developing, producing and handing ra

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  • 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    119385-80-7

    3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

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    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

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  • 3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

  • Casno:

    119385-80-7

    3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    3-AMINO-2,4,5-TRIFLUOROBENZOIC ACID

    We are a leading global supplier and manufacturer of chiral chemicals, amino acids, aromatic and pyridine halogens, natural extracts and pharmaceutical raw materials. Those chemica

  • tombiopharma

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Specification

The Benzoic acid,3-amino-2,4,5-trifluoro-, with its CAS registry number 119385-80-7, has the systematic name of 3-amino-2,4,5-trifluorobenzoic acid. With its molecular foumula of C7H4F3NO2, it has the formula weight of 191.11.

The characteristics of Benzoic acid,3-amino-2,4,5-trifluoro- are as follows: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.4 cm3; (15)Molar Volume: 116.8 cm3; (16)Polarizability: 14.82×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.635 g/cm3; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 57.75 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000337 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cc(c(F)c(N)c1F)C(=O)O
(2)InChI:InChI=1/C7H4F3NO2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,11H2,(H,12,13)
(3)InChIKey:NVWVZPFPZJYLNK-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C7H4F3NO2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,11H2,(H,12,13)
(5)Std. InChIKey:NVWVZPFPZJYLNK-UHFFFAOYSA-N