| Identification | More | [Name]
2-Bromo-5-nitrobenzotrifluoride | [CAS]
367-67-9 | [Synonyms]
2-BROMO-5-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
2-BROMO-5-NITROBENZOTRIFLUORIDE
5-NITRO-2-BROMOBENZOTRIFLUORIDE
LABOTEST-BB LT01143236
3-Trifluoromethyl-4-bromonitrobenzene
2-Bromo-5-nitrobenzotrifluorid
1-bromo-4-nitro-2-(trifluoromethyl)benzene
2-Bromo-5-nitrobenzotrifluoride98% | [EINECS(EC#)]
609-288-8 | [Molecular Formula]
C7H3BrF3NO2 | [MDL Number]
MFCD00014707 | [Molecular Weight]
270 | [MOL File]
367-67-9.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystals | [Melting point ]
41-44 °C (lit.) | [Boiling point ]
87-88 °C/3 mmHg (lit.) | [density ]
1.7750 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Light yellow to Green | [BRN ]
2460260 | [Exposure limits]
ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3 | [InChI]
InChI=1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H | [InChIKey]
SXEQQBBOAMHOID-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C([N+]([O-])=O)C=C1C(F)(F)F | [CAS DataBase Reference]
367-67-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2306 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystals | [Uses]
2-Bromo-5-nitrobenzotrifluoride may be used in the preparation of:
- new unsymmetrical diamine monomer containing both the benzimidazole ring and trifluoromethyl group, 6,4′-diamino-2′-trifluoromethyl-2-phenylbenzimidazole
- 2,5-bis[(4-nitro-2-trifluoromethylphenoxy)-phenyl]diphenylphosphine oxide (BNTFDPO)
| [Synthesis]
General procedure for the synthesis of 2-bromo-5-nitrobenzotrifluoride from o-bromobenzotrifluoride: 260 g of concentrated sulfuric acid (98%) was placed in a reaction flask at room temperature, and 120 g of fuming nitric acid was added slowly to prepare a nitrification acid mixture. The temperature of the reaction system was maintained at 50-60°C, and 390g of o-bromobenzotrifluoride was slowly added to the mixed acid. After the addition was completed, the temperature was maintained and the reaction continued to be stirred until the GC test showed that the raw material was completely consumed and the reaction was completed. After the reaction solution was left to stratify, the upper organic phase was separated and washed to neutrality with alkali. A bright yellow liquid was obtained, which was immediately post-treated to finally obtain 450.4 g of 2-bromo-5-nitrobenzotrifluoride, with a GC purity of 95% and a yield of 92%. | [References]
[1] Patent: CN106905104, 2017, A. Location in patent: Paragraph 0020-0021
[2] Journal of the American Chemical Society, 1951, vol. 73, p. 3932 |
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