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3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

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Products Intro: Product Name:3,5-Bis(trifluoromethyl)phenyl isothiocyanate
CAS:23165-29-9
Purity:98%(Min.,GC) Package:1G;1KG;100KG
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Products Intro: Product Name:3,5-Bis(trifluoromethyl)phenyl isothiocyanate
CAS:23165-29-9
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Products Intro: Product Name:3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
CAS:23165-29-9
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Products Intro: Product Name:3,5-bis(trifluoromethyl)phenylisothiocyanate
CAS:23165-29-9
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Products Intro: Product Name:3,5-Bis(trifluoromethyl)phenyl Isothiocyanate
CAS:23165-29-9
Purity:>=98% Package:1g;5g;10g;25g;100g

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE manufacturers

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Basic information
Product Name:3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
Synonyms:ISOTHIOCYANIC ACID 3,5-BIS(TRIFLUOROMETHYL)PHENYL ESTER;3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;3,5-DI(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;3,5-Bis(trifluoromethyl)phenyl isothiocyanate, 99+%;3,5-Bis(trifluoromethyl)phenyl isothiocyanate 97%;3,5-Bis(trifluoromethyl)phenylisothiocyanate97%;3,5-Di(trifluoromethyl)phenyl isothiocyanate, 97+%;1,3-Bis(trifluoromethyl)-5-isothiocyanatobenzene
CAS:23165-29-9
MF:C9H3F6NS
MW:271.18
EINECS:629-347-1
Product Categories:Building Blocks;Chemical Synthesis;Organic Building Blocks;Organic Building Blocks;Sulfur Compounds;Fluorine series;Phenyl isocyanate&Phenyl isothiocyanate;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:23165-29-9.mol
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Structure
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Chemical Properties
Melting point 160℃
Boiling point 63 °C1.5 mm Hg(lit.)
density 1.485 g/mL at 25 °C(lit.)
refractive index n20/D 1.5(lit.)
Fp 228 °F
storage temp. Storage temp. 2-8°C
form Liquid
color Clear yellow
Specific Gravity1.485
Water Solubility Hydrolyzes in water.
Sensitive Moisture Sensitive
BRN 2990816
InChIInChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKeyFXOSSGVJGGNASE-UHFFFAOYSA-N
SMILESC1(N=C=S)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
CAS DataBase Reference23165-29-9(CAS DataBase Reference)
Safety Information
Hazard Codes C,T,Xi
Risk Statements 34
Safety Statements 22-26-27-36/37/39-45
RIDADR 2810
WGK Germany 3
Hazard Note Toxic
HazardClass 6.1
PackingGroup III
HS Code 29309090
Storage Class6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard ClassificationsAcute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Usage And Synthesis
Chemical PropertiesCLEAR YELLOW LIQUID
Uses3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:
  • Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
  • Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
  • Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
  • Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.
Synthesis

Synthesis of 3,5-bis(trifluoromethyl)phenyl isothiocyanate: 3,5-bis(trifluoromethyl)-4-chloroaniline (25.8g, 132.3mmol), triethylenediamine (44.46g, 396.9mmol) and 135mL toluene were added to a 250mL three-necked flask, and dissolved by stirring at room temperature. Then carbon disulfide (30.06 g, 396.9 mmol) was added dropwise within 2.0 h. After dropping, the reaction was held at 15-25C for 8-10 h. After the reaction was finished, filtration was carried out, and the filter cake was drenched with 20 mL of toluene once and dried, to obtain the yellowish powdery 3,5-bis(trifluoromethyl)-4-chloroaniline dithiocarbonate. The resulting 3-(trifluoromethyl)-4-chloroaniline dithiocarbonate was suspended in 200 mL of chloroform and cooled to -5-0 C with open stirring. Slowly add 60 mL of chloroform dissolved in solid phosgene [bis(trichloromethyl)carbonate, BTC] (12.43 g, 42.0 mmol) dropwise, after dropping, the reaction was carried out in an ice bath for 1 h, and then at room temperature for 1 h. Finally, the reaction was heated to reflux and kept warm for 1.5-2 h. After the reaction, the reaction was cooled down to room temperature, and insoluble material was removed by filtration, and the filtrate was distilled under reduced pressure to obtain 3,5-bis(trifluoromethyl)phenyl 3,5-Bis(trifluoromethyl)phenyl isothiocyanate crude product. After column chromatography (silica gel G, pure petroleum ether elution, concentrated under reduced pressure to obtain light yellow oily liquid 23.5g, purity: 99.6% (GC), bp: 248-251 , yield: 80.5%.

3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Preparation Products And Raw materials
Preparation ProductsN-[(1S,2S)-2-aMino-1,2-diphenylethyl]-N'-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea-->N-[3,5-bis(trifluoromethyl)phenyl]-N’cyclohexylthiourea
Tag:3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE(23165-29-9) Related Product Information
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