HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 80945Generated: October 26, 2026
Benzenesulfonic acid, 5-amino-2-methoxy-
1-methoxy-4 · 6-Methoxymetanilic acid · p-Anisidine-2-sulfonicaci · Metanilic acid, 6-methoxy- · 4-Anisidine-2-sulfonic acid · p-Anisidine-2-sulfonic acid · P-ANISIDINE-3-SULPHONIC ACID · 4-AMINOANISOLE-2-SULFONIC ACID
https://huagongshe.com/en/chemical/80945
Identifiers & Physical Properties
| CAS No. | 6470-17-3 |
|---|
| Molecular formula | C7H9NO4S |
|---|
| Average molar mass | 203.22 g/mol |
|---|
| Monoisotopic mass | 203.02522877 g/mol |
|---|
| SMILES | COc1ccc(N)cc1S(=O)(=O)O |
|---|
| InChIKey | JXZGTFLJFKLVAX-UHFFFAOYSA-N |
|---|
| PubChem CID | 80945 |
|---|
| EC No. | 229-291-4 |
|---|
| DTXSID | DTXSID1064376 |
|---|
Chemical & Physical Properties
| XLogP | -0.4 |
|---|
| Topological polar surface area | 98 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 13 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 258 |
|---|
| Melting point | 314-318 °C(lit.) |
|---|
| Boiling point | 386.91℃[at 101 325 Pa] |
|---|
| Density | 1.467±0.06 g/cm3(Predicted) |
|---|
| Vapor pressure | 0Pa at 25℃ |
|---|
| Physical state | powder to crystal |
|---|
| pKa (acidity coefficient) | -1.24±0.42(Predicted) |
|---|
| Color | White to Gray to Red |
|---|
| Solubility | 21.55g/L at 25℃ |
|---|
| InChI | InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) |
|---|
| InChIKey | JXZGTFLJFKLVAX-UHFFFAOYSA-N |
|---|
| SMILES | C1(S(O)(=O)=O)=CC(N)=CC=C1OC |
|---|
| LogP (partition coefficient) | -2 at 25℃ |
|---|
| CAS DataBase Reference | 6470-17-3(CAS DataBase Reference) |
|---|
| EPA Substance Registry System | Benzenesulfonic acid, 5-amino-2-methoxy- (6470-17-3) |
|---|
| GHS pictogram | GHS05,GHS07 |
|---|
| Signal word | Danger |
|---|
| GHS hazard statements | H314-H315-H319 |
|---|
| GHS precautionary statements | P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P305+P351+P338-P310 |
|---|
| Hazard symbols | C |
|---|
| Risk statements (R) | 34 |
|---|
| Safety statements (S) | 26-36/37/39-45 |
|---|
| UN transport number | UN 1759 8/PG 2 |
|---|
| Water hazard class (WGK) | 3 |
|---|
| TSCA inventory status | TSCA listed |
|---|
| Customs code | 2922.29.8190 |
|---|
| Hazard class | 8 |
|---|
| REACH registrations | Inactive |
|---|
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
|---|
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
|---|
Safety & Regulations
| GHS classification | DangerH314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|
| Regulatory information | Status: Cease Manufacture Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21465 |
|---|
| Hazard Classes and Categories | Skin Corr. 1B (97.5%) |
|---|
| Water hazard class (WGK) | 3 |
|---|
| TSCA inventory status | TSCA listed |
|---|
| UN transport number | UN 1759 8/PG 2 |
|---|
| Customs code | 2922.29.8190 |
|---|
| Risk statements (R) | 34 |
|---|
| Signal word | Danger |
|---|
| GHS pictogram | GHS05,GHS07 |
|---|
| Hazard symbols | C |
|---|
| Safety statements (S) | 26-36/37/39-45 |
|---|
| Hazard class | 8 |
|---|
| GHS hazard statements | H314-H315-H319 |
|---|
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
|---|
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
|---|
| REACH registrations | Inactive |
|---|
| GHS precautionary statements | P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P305+P351+P338-P310 |
|---|
