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2-NITRO-5-(TRIFLUOROMETHYL)PHENOL structure

2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

CAS：402-17-5
MW:207.1068
MF：C7H4F3NO3

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Names and ldentifier
Properties
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

1.2 Synonyms: 2-Nitro-5-(trifluoromethyl); 2-Nitro-5-(trifluoromethyl)phenol, 2-Hydroxy-4-(trifluoromethyl)nitrobenzene; 2-Nitro-5-(trifluoromethyl)phenol, 2-Hydroxy-4-(trifluoromethyl)nitrobenzene, 6-Nitro-alpha,alpha,alpha-trifluoro-m-cresol; 2-Nitro-5-trifluoromethylphenol; 3-Hydroxy-4-nitrobenzotrifluoride; Phenol, 2-nitro-5-(trifluoromethyl)-;

1.3 CAS No.: 402-17-5

1.4 CID: 14091690

1.5 Molecular Formula: C7H4F3NO3

1.6 Inchi: InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H

1.7 InChkey: FVKYLHATVWKUMW-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC(=C(C=C1C(F)(F)F)O)[N+](=O)[O-]

1.9 Isomers Smiles: C1=CC(=C(C=C1C(F)(F)F)O)[N+](=O)[O-]

2. Properties

2.1 pKa: 5.83±0.13(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

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

402-17-5Total: 4 Synthesis Route

98-17-9

98-17-9 306 Suppliers

402-17-5

402-17-5 10 Suppliers

402-54-0

402-54-0 78 Suppliers

402-17-5

402-17-5 10 Suppliers

6. Precursor and Product

precursor:

98-17-9

98-17-9

402-14-2

402-14-2

402-54-0

402-54-0

402-11-9

402-11-9

product:

454-82-0

454-82-0

7. Computed Properties

Molecular Weight：207.1068g/mol
Molecular Formula：C₇H₄F₃NO₃
Compound Is Canonicalized：True
XLogP3-AA：207.01432748
Monoisotopic Mass：207.01432748
Complexity：225
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：66
Heavy Atom Count：：14
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：AAADcYBiMYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAECAAADAyBmBAwxoAQQgCBAiRCQwCCAAAgIgAoiAAHbIoKJiKSkZOAcABkwFEI2AeQwBAOCAABAAAAEAAQAAIAAAAgAAAAAAAAAA==

8. Toltal 10 Suppliers View more

2-Nitro-5-(trifluoromethyl)benzenol

Finetech Industry limited.

Tel: Update Time:2018/11/21

inquire

2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

Elsa Biotechnology Co.,Ltd.

Tel: Update Time:2019/02/26

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2-Nitro-5-(trifluoromethyl)phenol

Atomax Chemicals Co.,Ltd

Tel: Update Time:2019/07/29

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factory 2-nitro-5-(trifluoromethyl)phenol 402-17-5 99% in stock

Shengda Pharmaceutical Co., Limited

Tel: Update Time:2022/07/06

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2-nitro-5-(trifluoromethyl)phenol

Changzhou Ansciep Chemical Co.,Ltd.

Tel: Update Time:2019/02/25

inquire

9. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

2. Properties

2.1 pKa

4. NMR Spectrum

5. Synthesis Route

6. Precursor and Product

7. Computational chemical data

8. Toltal 10 Suppliers

9. Realated Product Infomation

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