Benzoic acid, 3-fluoro-, methyl ester (CAS 455-68-5) — formula C8H7FO2, molecular weight 154.14; category organic chemicals.
| CAS Number | 455-68-5 |
|---|---|
| Molecular Formula | C8H7FO2 |
| Molecular Weight | 154.14 |
| LogP | 2.3 |
| Category | Organic Chemicals |
Benzoic acid, 3-fluoro-, methyl ester is a carbon-based organic compound with CAS registry number 455-68-5 and molecular formula C8H7FO2 (molecular weight 154.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 455-68-5
Its molecular formula C8H7FO2 comprises 8 C, 7 H, 1 F, 2 O atoms.
Also known as: Benzoic acid, 3-fluoro-, methyl ester · 3-氟苯甲酸甲酯
Category: organic chemicals
The CAS registry number of Benzoic acid, 3-fluoro-, methyl ester is 455-68-5.
Molecular formula C8H7FO2, molecular weight 154.14.
It is also registered under: Benzoic acid, 3-fluoro-, methyl ester, 3-氟苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for Benzoic acid, 3-fluoro-, methyl ester (CAS 455-68-5), compiled from public chemistry databases.
| CAS Registry Number | 455-68-5 |
|---|---|
| PubChem CID | 521184 |
| Molecular formula | C8H7FO2 |
| IUPAC name | methyl 3-fluorobenzoate |
| Molecular Weight | 154.14 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.04300762 |
| Monoisotopic Mass | 154.04300762 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
Methyl 3-fluorobenzoate; benzoic acid, 3-fluoro-, methyl ester; 3-Fluorobenzoic acid, methyl ester; 3-F-C6H4-COOCH3; DTXSID00334579; RefChem:118403; DTXCID10285669; InChI=1/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H; YXZNVLYXBIIIOB-UHFFFAOYSA-N; 455-68-5; 3-fluorobenzoic acid methyl ester; MFCD03094302; Methyl 3-fluorobenzoate #; AB9708; AKOS008904748; CS-W019585
| Reported hazard statements | H227 (33.3%), H301 (33.3%), H315 (66.7%), H319 (66.7%), H335 (66.7%) |
|---|
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
Benzoic acid, 3-fluoro-, methyl ester · CAS 455-68-5 · C8H7FO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-氟苯甲酸甲酯