ChemicalBook CAS DataBase List 445-03-4

445-03-4

Name	2-Amino-5-chlorobenzotrifluoride
CAS	445-03-4
EINECS(EC#)	207-151-3
Molecular Formula	C7H5ClF3N
MDL Number	MFCD00007841
Molecular Weight	195.57
MOL File	445-03-4.mol

Synonyms

2-AMINO-5-CHLOROBENZOTRIFLUORIDE 2-AMINO-5-CHLORO-TRIFLUOROTOLUENE 2-TRIFLUOROMETHYL-4-CHLORO-ANILINE 4-CHLORO-2-TRIFLUOROMETHYLANILINE 4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIDINE 5-CHLORO-2-AMINOTRIFLUOROMETHYL BENZENE 5-CHLORO-2-AMINO TRIFLUORO TOLUENE AKOS BBS-00003624 LABOTEST-BB LT02085311 TIMTEC-BB SBB000345 4-chloro-2-(trifluoromethyl)-benzenamin 5-Chloro-2-aminobenzotrifluoride Aniline,4-chloro-2-trifluoromethyl- Benzenamine,4-chloro-2-(trifluoromethyl)- C.I. 37055 C.I. Azoic Diazo Component 17 Diazo Fast Scarlet VD Fast Scarlet Salt VD Fast Scarlet VD Salt o-Toluidine, 4-chloro-alpha,alpha,alpha-trifluoro-

Chemical Properties

Appearance	Clear yellow liquid
Melting point	8.8 °C
Boiling point	66-67 °C3 mm Hg(lit.)
density	1.386 g/mL at 25 °C(lit.)
vapor pressure	48.5-1013hPa at 110.5-208.2℃
refractive index	n20/D 1.507(lit.)
Fp	203 °F
storage temp.	0-6°C
form	clear liquid
pka	0.83±0.10(Predicted)
color	Colorless to Orange to Green
Specific Gravity	1.386
PH	7.4 at 20℃ and 995mg/L
BRN	2366801
InChI	1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey	CVINWVPRKDIGLL-UHFFFAOYSA-N
SMILES	Nc1ccc(Cl)cc1C(F)(F)F
LogP	2.68
CAS DataBase Reference	445-03-4(CAS DataBase Reference)
NIST Chemistry Reference	Benzenamine, 4-chloro-2-(trifluoromethyl)-(445-03-4)
EPA Substance Registry System	445-03-4(EPA Substance)

Safety Data

Hazard Codes	Xn,Xi
Risk Statements	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R33:Danger of cumulative effects. R36/37/38:Irritating to eyes, respiratory system and skin . R41:Risk of serious damage to eyes. R22:Harmful if swallowed. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	UN 2810
WGK Germany	2
Hazard Note	Irritant
TSCA	T
REACH Registrations	Active
HazardClass	6.1
PackingGroup	III
HS Code	29214300
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT RE 2 STOT SE 3

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Clear yellow liquid

Uses

4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.

Preparation

Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 4-Chloro-1-nitro-2-(trifluoromethyl)benzene? reduction.

General Description

Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.

Synthesis

1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one

887144-94-7

106-47-8

445-03-4

The general procedure for synthesizing 2-amino-5-chlorobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and 4-chloroaniline is as follows: in this embodiment, p-chloroaniline was used as the aromatic amine, and the rest of the reaction and post-processing steps were the same as in Example 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), 4-chloroaniline (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr. at 35 °C. After the reaction was completed, the product was isolated and purified according to the post-processing procedure in Example 1.

References

[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0190-0194
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771

Material Safety Data Sheet(MSDS)

Spectrum Detail

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