ChemicalBook--->CAS DataBase List--->400-67-9

400-67-9

400-67-9 Structure

400-67-9 Structure
IdentificationMore
[Name]

2-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE
[CAS]

400-67-9
[Synonyms]

2-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE
2-CHLORO-4-NITRO-6-(TRIFLUOROMETHYL)ANILINE
2-Amino-3-chloro-5-nitrobenzotrifluoride 98%
2-Amino-3-chloro-5-nitrobenzotrifluoride98%
[EINECS(EC#)]

225-202-8
[Molecular Formula]

C7H4ClF3N2O2
[MDL Number]

MFCD04972736
[Molecular Weight]

240.57
[MOL File]

400-67-9.mol
Chemical PropertiesBack Directory
[Melting point ]

115-116 °C(Solv: acetic acid (64-19-7))
[Boiling point ]

286.0±35.0 °C(Predicted)
[density ]

1.614±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

-3.90±0.46(Predicted)
[CAS DataBase Reference]

400-67-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[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 .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HS Code ]

2921490090
Hazard InformationBack Directory
[Uses]

2-Amino-3-chloro-5-nitrobenzotrifluoride is a useful intermediate for the preparation of monoazo dyes.
[Synthesis]

2-Amino-5-nitrobenzotrifluoride

121-01-7

2-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE

400-67-9

General procedure for the synthesis of 2-chloro-4-nitro-6-(trifluoromethyl)aniline from 2-amino-5-nitrobenzotrifluoride: 4-nitro-2-(trifluoromethyl)aniline (15 g) and N-chlorosuccinimide (10.7 g) were dissolved in acetonitrile (100 ml) in a sealed microwaveable reaction flask and heated to 150°C for 15 minutes. After completion of the reaction, the mixture was cooled to room temperature and poured into a mixture of 5% sodium hydroxide solution (500 ml) and ethyl acetate (400 ml). The organic phase was separated, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. Purification by fast column chromatography afforded 17.0 g (97% yield) of 2-chloro-4-nitro-6-(trifluoromethyl)aniline as a yellow solid.LC-MS (m/z) 240 (MH+); tR=4.76, (UV, ELSD) purity 97% and 96%, respectively.1H NMR (500 MHz, DMSO-d6) δ: 7.15 (s , 2H), 8.15 (d, 1H), 8.40 (d, 1H).

[References]

[1] Patent: WO2006/29623, 2006, A1. Location in patent: Page/Page column 60-61
[2] Patent: WO2005/87754, 2005, A1. Location in patent: Page/Page column 46
[3] Industrial and Engineering Chemistry, 1953, vol. 45, p. 1730,1732
[4] Industrial and Engineering Chemistry, 1954, vol. 46, p. 2213,2218, 2219
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