4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID (CAS 85559-46-2) — formula C9H5F3N2O2, molecular weight 230.14; category organic chemicals.
| CAS Number | 85559-46-2 |
|---|---|
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.14 |
| LogP | 2.4 |
| Category | Organic Chemicals |
4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is a carbon-based organic compound with CAS registry number 85559-46-2 and molecular formula C9H5F3N2O2 (molecular weight 230.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85559-46-2
Its molecular formula C9H5F3N2O2 comprises 9 C, 5 H, 3 F, 2 N, 2 O atoms.
Also known as: 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID · 4-(3-(三氟甲基)-3H-二氮杂萘-3-基)苯甲酸
Category: organic chemicals
The CAS registry number of 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID is 85559-46-2.
Molecular formula C9H5F3N2O2, molecular weight 230.14.
It is also registered under: 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID, 4-(3-(三氟甲基)-3H-二氮杂萘-3-基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID (CAS 85559-46-2), compiled from public chemistry databases.
| CAS 号 | 85559-46-2 |
|---|---|
| PubChem CID | 128718 |
| 分子式 | C9H5F3N2O2 |
| IUPAC 名称 | 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid |
| UNII（FDA） | ES9VAY6FMP |
| Molecular Weight | 230.14 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 230.03031189 |
| Monoisotopic Mass | 230.03031189 |
| Topological Polar Surface Area | 62 |
| Heavy Atom Count | 16 |
85559-46-2; 4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID; 4-(3-(trifluoromethyl)-3h-diazirin-3-yl)benzoic acid; 4-Atfeb; TDBA; 4-(3-Trifluoromethyldiazirino)benzoic acid; ES9VAY6FMP; 4-(1-Azi-2,2,2-trifluoroethyl)benzoate; Benzoic acid, 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)-; DTXSID00234747; Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-; RefChem:97171; DTXCID30157238; 686-492-3; 4-(1-Azi-2,2,2-trifluoroethyl)benzoic Acid; 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
| 已通报的危害声明 | H302 (66.7%), H312 (33.3%), H315 (100%), H319 (100%), H332 (33.3%), H335 (66.7%) |
|---|
4-(3-(三氟甲基)-3H-二氮杂萘-3-基)苯甲酸 · CAS 85559-46-2 · C9H5F3N2O2. UNII ES9VAY6FMP.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.