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2-Amino-3-bromo-5-nitrobenzotrifluoride 95+% structure

2-Amino-3-bromo-5-nitrobenzotrifluoride 95+%
  • CAS：400-66-8
  • MW:285
  • MF：C7H4BrF3N2O2
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1. Names and Identifiers
1.1 Name
2-Amino-3-bromo-5-nitrobenzotrifluoride 95+%
1.2 Synonyms
2-Amino-3-bromo-5-nitrobenzotrifluoride; 2-Bromo-4-nitro-6-(trifluoromethyl)aniline; 2-Bromo-4-nitro-6-(trifluoromethyl)benzenamine; 2-Bromo-4-nitro-6-trifluoromethylphenylamine; 2-Bromo-4-nitro-6-trifluoromethyl-phenylamine; Benzenamine, 2-bromo-4-nitro-6-(trifluoromethyl)-; o-Toluidine, 6-bromo-α,α,α-trifluoro-4-nitro-;
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1.3 CAS No.
400-66-8
1.4 CID
11471654
1.5 Molecular Formula
C7H4BrF3N2O2
1.6 Inchi
InChI=1S/C7H4BrF3N2O2/c8-5-2-3(13(14)15)1-4(6(5)12)7(9,10)11/h1-2H,12H2
1.7 InChkey
VTSOQYVBDQONBG-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C=C(C(=C1C(F)(F)F)N)Br)[N+](=O)[O-]
1.9 Isomers Smiles
C1=C(C=C(C(=C1C(F)(F)F)N)Br)[N+](=O)[O-]
2. Properties
2.1 Solubility
几乎不溶 (0.051 g/L) (25 oC),
2.2 pKa
-4.03±0.46(Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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4. Synthesis Route
400-66-8Total: 1 Synthesis Route
 
121-01-7
121-01-7 191 Suppliers
 
400-66-8
400-66-8 7 Suppliers
5. Precursor and Product
precursor:
121-01-7
121-01-7
product:
58458-13-2
58458-13-2
85977-28-2
85977-28-2
85977-24-8
85977-24-8
85977-29-3
85977-29-3
6. Computed Properties
  • Molecular Weight：285g/mol
  • Molecular Formula：C7H4BrF3N2O2
  • Compound Is Canonicalized：True
  • Exact Mass：2.6
  • XLogP3-AA：283.94082
  • Monoisotopic Mass：283.94082
  • Complexity：256
  • Rotatable Bond Count：0
  • Hydrogen Bond Donor Count：1
  • Hydrogen Bond Acceptor Count：6
  • Topological Polar Surface Area：71.8
  • Heavy Atom Count：：15
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADcYBjMYAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQBUAAABrAiBGBAwwIBQQACBAiRCQwCCAAAgAgQgiAAAZKoIICKAkZGAIABggAAIyhcQgAAOAACAUAECAAgAAQCgAgQAEAAAAAAAAA==
7. Toltal 7 Suppliers View more
2-Bromo-4-nitro-6-(trifluoromethyl)aniline
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
2-Bromo-4-nitro-6-(trifluoromethyl)aniline
Changzhou Ansciep Chemical Co.,Ltd.
China
Tel: Update Time:2019/02/25
inquire
2-Bromo-4-nitro-6-(trifluoromethyl)aniline
Andexin industrial Co.,Limited
China
Tel: Update Time:2014/03/24
inquire
2-Bromo-4-nitro-6-(trifluoromethyl)aniline
China Huanyu Chemical Industrial Co.,Ltd
China
Tel: Update Time:2014/02/28
inquire
2-Bromo-4-nitro-6-(trifluoromethyl)aniline
Win-Win chemical Co.Ltd
China
Tel: Update Time:2014/02/08
inquire
8. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. Synthesis Route
5. Precursor and Product
6. Computational chemical data
7. Toltal 7 Suppliers
8. Realated Product Infomation
 
 
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