2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 (CAS 52548-96-6) — formula C14H9F3O2S, molecular weight 298.28; category organic chemicals.
| CAS Number | 52548-96-6 |
|---|---|
| Molecular Formula | C14H9F3O2S |
| Molecular Weight | 298.28 |
| LogP | 4.4 |
| Category | Organic Chemicals |
2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 is a carbon-based organic compound with CAS registry number 52548-96-6 and molecular formula C14H9F3O2S (molecular weight 298.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52548-96-6
Its molecular formula C14H9F3O2S comprises 14 C, 9 H, 3 F, 2 O, 1 S atoms.
Also known as: 2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 · 2-(苯硫基)-5-(三氟甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 is 52548-96-6.
Molecular formula C14H9F3O2S, molecular weight 298.28.
It is also registered under: 2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97, 2-(苯硫基)-5-(三氟甲基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 (CAS 52548-96-6), compiled from public chemistry databases.
| CAS 号 | 52548-96-6 |
|---|---|
| PubChem CID | 104231 |
| 分子式 | C14H9F3O2S |
| IUPAC 名称 | 2-phenylsulfanyl-5-(trifluoromethyl)benzoic acid |
| UNII（FDA） | NS00059098 |
| Molecular Weight | 298.28 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.02753519 |
| Monoisotopic Mass | 298.02753519 |
| Topological Polar Surface Area | 62.6 |
| Heavy Atom Count | 20 |
2-Phenylthio-5-trifluoromethylbenzoic acid; 2-(phenylthio)-5-(trifluoromethyl)benzoic acid; EINECS 257-998-8; RefChem:478245; 257-998-8; 52548-96-6; 2-Carboxy-4-(trifluoromethyl)diphenylsulphide; 2-phenylsulfanyl-5-(trifluoromethyl)benzoic acid; 2-Phenylsulfanyl-5-trifluoromethyl-benzoic acid; MFCD00069137; 2-(phenylsulfanyl)-5-(trifluoromethyl)benzoic acid; 2-Carboxy-4-(trifluoromethyl)diphenyl sulphide; 2-Carboxy-4-(trifluoromethyl)diphenylsulfide; Benzoic acid, 2-(phenylthio)-5-(trifluoromethyl)-; SCHEMBL11709910; DTXSID20966977
| GHS 通报统计 | 66.7% (2 / 3) |
|---|
| GHS 通报统计 | 66.7% (2 / 3) |
|---|---|
| 已通报的危害声明 | H315 (33.3%), H319 (33.3%), H335 (33.3%) |
2-(苯硫基)-5-(三氟甲基)苯甲酸 · CAS 52548-96-6 · C14H9F3O2S. UNII NS00059098.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-(苯硫基)-5-(三氟甲基)苯甲酸