Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- (CAS 391211-97-5) — formula C13H7F3INO2, molecular weight 393.10; category organic chemicals.
| CAS Number | 391211-97-5 |
|---|---|
| Molecular Formula | C13H7F3INO2 |
| Molecular Weight | 393.10 |
| LogP | 4.5 |
| Category | Organic Chemicals |
Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- is a carbon-based organic compound with CAS registry number 391211-97-5 and molecular formula C13H7F3INO2 (molecular weight 393.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 391211-97-5
Its molecular formula C13H7F3INO2 comprises 13 C, 7 H, 3 F, 1 I, 1 N, 2 O atoms.
Also known as: Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- · 苯甲酸，3,4-二氟-2-[(2-氟-4-碘苯基)氨基]-
Category: organic chemicals
The CAS registry number of Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- is 391211-97-5.
Molecular formula C13H7F3INO2, molecular weight 393.10.
It is also registered under: Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-, 苯甲酸，3,4-二氟-2-[(2-氟-4-碘苯基)氨基]-.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- (CAS 391211-97-5), compiled from public chemistry databases.
| CAS Registry Number | 391211-97-5 |
|---|---|
| PubChem CID | 22025663 |
| Molecular formula | C13H7F3INO2 |
| IUPAC name | 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid |
| UNII (FDA) | 5A6V9RGK6M |
| Molecular Weight | 393.10 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 392.94736 |
| Monoisotopic Mass | 392.94736 |
| Topological Polar Surface Area | 49.3 |
| Heavy Atom Count | 20 |
391211-97-5; 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)benzoic acid; 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic Acid; 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic Acid; 5A6V9RGK6M; G00038820; RefChem:1060870; MFCD08690072; 3,4-Difluoro-2-(2-fluoro-4-iodophenylamino)benzoic Acid; Cobimetinib Impurity 1; 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid; 2-(N-2''-FLURO-4''-IODOPHENYL)AMINO-3,4-DIFLUORO BENZOIC ACID; CHEMBL2146885; Cobimetinib metabolite (g00038820); 3,4-Difluoro-2-((2-fluoro-4-iodophenyl)-amino)benzoic acid; Benzoic acid, 3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)-
| Reported hazard statements | H302 (100%), H413 (97.4%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H413 (97.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Benzoic acid, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]- · CAS 391211-97-5 · C13H7F3INO2. UNII 5A6V9RGK6M.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.