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3-Amino-4-chlorobenzotrifluoride

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Products Intro: Product Name:3-Amino-4-chlorobenzotrifluoride
CAS:121-50-6
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CAS:121-50-6
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Products Intro: Product Name:3-Amino-4-chlorobenzotrifluoride
CAS:121-50-6
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3-Amino-4-chlorobenzotrifluoride manufacturers

3-Amino-4-chlorobenzotrifluoride Basic information
Product Name:3-Amino-4-chlorobenzotrifluoride
Synonyms:6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE;4-CHLORO-A,A,A-TRIFLUORO-M-TOLUIDINE;4-CHLORO-3-AMINOBENZOTRIFLUORIDE;3-AMINO-4-CHLOROTRIFLUOROTOLUENE;3-AMINO-4-CHLORO-A,A,A-TRIFLUOROTOLUENE;3-AMINO-4-CHLOROBENZOTRIFLUORIDE;2-chloro-5-(trifluoromethyl)-benzenamin;3-Amino-4-chloro-alpha,alpha,alpha-trifluorotoluene
CAS:121-50-6
MF:C7H5ClF3N
MW:195.57
EINECS:204-475-7
Product Categories:API Intermediate;Amines;blocks;FluoroCompounds;Aromatic Halides (substituted);Aniline;Miscellaneous;Trifluoromethylbenzene serise
Mol File:121-50-6.mol
3-Amino-4-chlorobenzotrifluoride Structure
3-Amino-4-chlorobenzotrifluoride Chemical Properties
Melting point 10 °C
Boiling point 82-83 °C (9 mmHg)
density 1.428 g/mL at 25 °C(lit.)
vapor pressure 0.15 hPa
refractive index n20/D 1.499(lit.)
Fp 75 °C
storage temp. Store below +30°C.
solubility 11g/l
form clear liquid
pka1.43±0.10(Predicted)
Colour Index 37050
color Colorless to Yellow to Green
Specific Gravity1.428
Water Solubility 11 g/L (60 ºC)
BRN 879910
InChI1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKeyVKTTYIXIDXWHKW-UHFFFAOYSA-N
SMILESFC(F)(F)c1cc(c(cc1)Cl)N
CAS DataBase Reference121-50-6(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenamine, 2-chloro-5-(trifluoromethyl)-(121-50-6)
EPA Substance Registry SystemBenzenamine, 2-chloro-5-(trifluoromethyl)- (121-50-6)
Safety Information
Hazard Codes Xn,Xi,N
Risk Statements 20/21/22-51/53-36/37/38
Safety Statements 36/37-60-57-36/37/39-26-36
RIDADR UN 2810 6.1/PG 3
WGK Germany 2
RTECS XU5775000
Autoignition Temperature≥560°C
Hazard Note Irritant
TSCA TSCA listed
HazardClass 6.1
PackingGroup III
HS Code 29214300
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
MSDS Information
ProviderLanguage
3-Amino-4-chlorobenzotrifluoride English
ACROS English
SigmaAldrich English
ALFA English
3-Amino-4-chlorobenzotrifluoride Usage And Synthesis
Chemical PropertiesCLEAR COLORLESS TO LIGHT YELLOW LIQUID
Uses2-Chloro-5-trifluoromethylaniline
Synthesis
3,4-Dichlorobenzotrifluoride

328-84-7

4-Amino-3-chlorobenzotrifluoride

39885-50-2

3-Amino-4-chlorobenzotrifluoride

121-50-6

Example 1: N-methylpyrrolidone (1050 mL) was added to an autoclave with 102 g of anhydrous activated potassium fluoride followed by 377 g of 3,4-dichlorobenzotrifluoride. At ambient temperature, 158 g of ammonia was vented from a pressure tank into the reactor. The reaction mixture was heated to 245-250 °C over a period of 2 h, at which time the reactor pressure reached 30-32 kg/cm2. excess ammonia gas was continued to be passed from the pressure tank to maintain the reactor pressure at 38-40 kg/cm2 at a liquid temperature of 245-250 °C. The reaction was maintained at this temperature and pressure condition for 8 h. The reaction was completed with the addition of 377 g of potassium fluoride, followed by the addition of 377 g of 3,4-dichlorobenzotrifluoride. Upon completion of the reaction, the mixture was cooled to ambient temperature and the unreacted ammonia gas was drained and recovered. The reaction mixture was filtered and the products were separated by fractional distillation to give 2-chloro-4-trifluoromethylaniline (77% yield) and 2-chloro-5-trifluoromethylaniline (13% yield) based on 3,4-dichlorobenzotrifluoride consumption calculations.

References[1] Patent: WO2011/107998, 2011, A1. Location in patent: Page/Page column 17
[2] Patent: US2013/30190, 2013, A1. Location in patent: Paragraph 0060
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