ChemicalBook--->CAS DataBase List--->445-02-3

445-02-3

445-02-3 Structure

445-02-3 Structure
IdentificationMore
[Name]

2-Amino-5-bromobenzotrifluoride
[CAS]

445-02-3
[Synonyms]

2-AMINO-5-BROMOBENZOTRIFLUORIDE
2-AMINO-5-BROMO(TRIFLUOROMETHYL)BENZENE
4-BROMO-2-(TRIFLUOROMETHYL)ANILINE
4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidine
4-bromo-2-(trifluoromethyl)-benzenamin
o-Toluidine, 4-bromo-alpha,alpha,alpha-trifluoro-
2-Amino-5-bromobenzotrifluoride, 98% (4-Bromo-2-trifluoromethylaniline)
2-Amino-5-bromobenzotrifluoride 98%
2-Amino-5-bromobenzotrifluoride98%
4-bromo-2-(Trilfuoromethyl)aniline
4-BROMO-2-(TRIFLUOROMETHYL)ANILINE 97%
2-(Trifluoromethyl)-4-bromoaniline
[EINECS(EC#)]

207-150-8
[Molecular Formula]

C7H5BrF3N
[MDL Number]

MFCD00064393
[Molecular Weight]

240.02
[MOL File]

445-02-3.mol
Chemical PropertiesBack Directory
[Appearance]

Clear yellow liquid
[Melting point ]

84~86℃/5mm
[Boiling point ]

84-86 °C5 mm Hg(lit.)
[density ]

1.71 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.532(lit.)
[Fp ]

225 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

clear liquid
[pka]

0.76±0.10(Predicted)
[color ]

Light yellow to Yellow to Orange
[Specific Gravity]

1.71
[BRN ]

2211504
[InChIKey]

PHXGKHTWEOPCEW-UHFFFAOYSA-N
[CAS DataBase Reference]

445-02-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 4-bromo-2-(trifluoromethyl)-(445-02-3)
[EPA Substance Registry System]

445-02-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi,C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29214300
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Amino-5-bromobenzotrifluoride(445-02-3).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear yellow liquid
[Uses]

4-Bromo-2-(trifluoromethyl)aniline has been used in the preparation of 2,5-dibromo-(trifluoromethyl)benzene and 5-bromo-2-iodo-(trifluoromethyl)benzene.
[Synthesis]

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

887144-94-7

4-Bromoaniline

106-40-1

2-Amino-5-bromobenzotrifluoride

445-02-3

The general procedure for the synthesis of 2-amino-5-bromobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodo-3(1H)-one and 4-bromoaniline is as follows: in this embodiment, the same reaction and post-processing procedure as in Example 28 is used, wherein the aromatic amine is p-bromoaniline. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyl iodo-3(1H)-one (0.5 mmol, 1.0 eq.), aromatic amine (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were used as a base, and the reaction was carried out for 2 hours at 35°C in DMSO (2 mL). After the reaction was completed, post-treatment was performed according to the method of Example 1.

[References]

[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0232-0236
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771
[4] Patent: CN103553857, 2016, B. Location in patent: Paragraph 0019-0020
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-5-bromobenzotrifluoride(445-02-3)MS
2-Amino-5-bromobenzotrifluoride(445-02-3)1HNMR
2-Amino-5-bromobenzotrifluoride(445-02-3)IR1
2-Amino-5-bromobenzotrifluoride(445-02-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Bromo-2-(trifluoromethyl)aniline, 98%(445-02-3)
[Sigma Aldrich]

445-02-3(sigmaaldrich)
[TCI AMERICA]

2-Amino-5-bromobenzotrifluoride,>97.0%(GC)(445-02-3)
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