3-mercaptobenzoic acid (CAS 4869-59-4) — formula C7H6O2S, molecular weight 154.19; category organic chemicals.
| CAS Number | 4869-59-4 |
|---|---|
| Molecular Formula | C7H6O2S |
| Molecular Weight | 154.19 |
| LogP | 2.3 |
| Category | Organic Chemicals |
3-mercaptobenzoic acid is a carbon-based organic compound with CAS registry number 4869-59-4 and molecular formula C7H6O2S (molecular weight 154.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4869-59-4
Its molecular formula C7H6O2S comprises 7 C, 6 H, 2 O, 1 S atoms.
Also known as: 3-mercaptobenzoic acid · 3-巯基苯甲酸
Category: organic chemicals
The CAS registry number of 3-mercaptobenzoic acid is 4869-59-4.
Molecular formula C7H6O2S, molecular weight 154.19.
It is also registered under: 3-mercaptobenzoic acid, 3-巯基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-mercaptobenzoic acid (CAS 4869-59-4), compiled from public chemistry databases.
| CAS Registry Number | 4869-59-4 |
|---|---|
| PubChem CID | 95737 |
| Molecular formula | C7H6O2S |
| IUPAC name | 3-sulfanylbenzoic acid |
| UNII (FDA) | NS00031816 |
| Molecular Weight | 154.19 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.00885060 |
| Monoisotopic Mass | 154.00885060 |
| Topological Polar Surface Area | 38.3 |
| Heavy Atom Count | 10 |
3-Mercaptobenzoic acid; 4869-59-4; Benzoic acid, 3-mercapto-; NSC 32021; DTXSID80197583; RefChem:118407; DTXCID40120074; 610-432-7; RSFDFESMVAIVKO-UHFFFAOYSA-N; 3-sulfanylbenzoic acid; 3-MercaptobenzoicAcid; m-mercaptobenzoic acid; MFCD00238636; 3-carboxythiophenol; 3-Sulfanylbenzenecarboxylic acid; 3-Mercapto-benzoic acid
| Reported hazard statements | H315 (100%), H318 (95.2%), H335 (95.2%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
3-mercaptobenzoic acid · CAS 4869-59-4 · C7H6O2S. UNII NS00031816.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-巯基苯甲酸