Cas no 129644-56-0 (2-Nitro-4-(trifluoromethoxy)phenol)

2-Nitro-4-(trifluoromethoxy)phenol is a fluorinated phenolic compound featuring both nitro and trifluoromethoxy functional groups. Its molecular structure (C7H4F3NO4) combines electron-withdrawing properties from the nitro group and enhanced lipophilicity due to the trifluoromethoxy moiety. This compound exhibits high thermal stability and chemical resistance, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms improves bioavailability and metabolic stability in derived compounds. It demonstrates particular utility in cross-coupling reactions and as a building block for bioactive molecules. The compound's crystalline form allows for precise handling in synthetic applications, while its distinct substitution pattern enables regioselective modifications in complex molecular architectures.

2-Nitro-4-(trifluoromethoxy)phenol structure

129644-56-0 structure

Product Name:2-Nitro-4-(trifluoromethoxy)phenol

CAS No:129644-56-0

MF:C₇H₄F₃NO₄

MW:223.106172561646

MDL:MFCD03094188

CID:820955

PubChem ID:2775775

Update Time:2025-07-02

2-Nitro-4-(trifluoromethoxy)phenol Chemical and Physical Properties

Names and Identifiers

- 2-Nitro-4-(trifluoromethoxy)phenol
- 2-Nitro-4-trifluoromethoxyphenol
- 4-trifluoromethoxy-2-nitrophenol
- AC1MCQGY
- ACMC-1C6XU
- ANW-65088
- CTK0C1460
- Nitro-4-(trifluoromethoxy)phenol
- PC2782
- Phenol, 2-nitro-4-(trifluoromethoxy)-
- SureCN707416
- 2-Hydroxy-5-(trifluoromethoxy)nitrobenzene
- DTXSID60379688
- 129644-56-0
- SCHEMBL707416
- PS-10483
- DB-365202
- CS-0083342
- AKOS016005393
- MFCD03094188
- MDL： MFCD03094188
- Inchi： 1S/C7H4F3NO4/c8-7(9,10)15-4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
- InChI Key： FNQAEUBXLFDRKW-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(=C(C=1)[N+](=O)[O-])O)(F)F

Computed Properties

Exact Mass: 223.00922
Monoisotopic Mass: 223.00924210g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 15
Rotatable Bond Count: 3
Complexity: 239
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.2
Topological Polar Surface Area: 75.3?2

Experimental Properties

PSA: 72.6

2-Nitro-4-(trifluoromethoxy)phenol Pricemore >>

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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	N181049-1g	2-Nitro-4-(trifluoromethoxy)phenol	129644-56-0	96%	1g	￥934.90	2023-09-01
Alichem	A014002228-250mg	2-Nitro-4-(trifluoromethoxy)phenol	129644-56-0	97%	250mg	494.40 USD	2021-06-22
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Chemenu	CM182887-5g	2-Nitro-4-(trifluoromethoxy)phenol	129644-56-0	95%	5g	$473	2021-06-16
Fluorochem	229550-250mg	2-Nitro-4-(trifluoromethoxy)phenol	129644-56-0	95%	250mg	￡54.00	2022-02-28
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Apollo Scientific	PC2782-5g	2-Nitro-4-(trifluoromethoxy)phenol	129644-56-0		5g	￡250.00	2025-02-21
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