# 对甲苯磺酸 (CAS 98-11-3) **CAS:** 98-11-3 **PubChem CID:** [7371](https://pubchem.ncbi.nlm.nih.gov/compound/7371) **Molecular formula:** C6H6O3S **Molar mass:** 158.18 g/mol **IUPAC:** benzenesulfonic acid **SMILES:** `C1=CC=C(C=C1)S(=O)(=O)O` **InChIKey:** `SRSXLGNVWSONIS-UHFFFAOYSA-N` **InChI:** `InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)` ## Physicochemical properties | Parameter | Value | |---|---| | logP (XLogP3) | 0 | | PSA | 62.8 Ų | | Hydrogen bond donors | 1 | | Hydrogen bond acceptors | 3 | | Rotatable bonds | 1 | | Heavy atoms | 10 | ## 3D structure The molecule contains 16 atoms connected by 16 chemical bonds. Interactive 3D model available at: https://molgod.org/molekula/98-11-3/ ## GHS classification **Signal word:** Danger **Pictograms:** GHS05, GHS07 ### Hazard statements (H) - **H314** — Causes severe skin burns and eye damage - **H302** — Harmful if swallowed - **H318** — Causes serious eye damage ### Precautionary statements (P) - **P234** — Keep only in original packaging - **P260** — Do not breathe dust/fume/gas/mist/vapours/spray ## Synonyms - BENZENESULFONIC ACID - 98-11-3 - Phenylsulfonic acid - Benzenesulphonic acid - Besylic acid - Benzene sulphonic acid - Benzenemonosulfonic acid - Kyselina benzensulfonova - 17-120A - DTXCID404568 ## Available in the shop [对甲苯磺酸 (CAS 98-11-3) — Shanxi Hyd](https://molgod.org/sds-cards/%e5%af%b9%e7%94%b2%e8%8b%af%e7%a3%ba%e9%85%b8-cas-98-11-3-shanxi-hyd/) ## Regulatory compliance checklist Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis). 4 required / 12 items ### SDS (Safety Data Sheet) available - **required** (required / sds) - How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format. - [Source / form](https://echa.europa.eu/information-on-chemicals) ### Compliant CLP label (pictograms + signal word + H/P) - **required** (required / clp_label) - How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). - [Source / form](https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272) ### Chemical OSH training (substance-specific) - **required** (required / bhp_training) - How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files. - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20040180169) ### BDO registration (Polish Waste Database) - **not applicable** (not_applicable / bdo_registration) - How to comply: The verified GHS classification does not indicate classes resulting in hazardous waste — BDO registration for this substance is not required. Verify the EWC code for the specific waste form. - [Source / form](https://bdo.mos.gov.pl/) ### ADR transport (international agreement) - **to be verified** (unknown / adr_transport) - How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS). - [Source / form](https://unece.org/transport/dangerous-goods/adr-2025-files) ### REACH registration (>1 t/year EU import) - **conditional** (conditional / reach_registration) - How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list. - [Source / form](https://echa.europa.eu/regulations/reach/registration) ### SVHC notification (Substances of Very High Concern) - **to be verified** (unknown / svhc_declaration) - How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry. - [Source / form](https://echa.europa.eu/candidate-list-table) ### REACH Annex XIV (authorisation list) - **to be verified** (unknown / reach_annex_xiv) - How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV. - [Source / form](https://echa.europa.eu/authorisation-list) ### REACH Annex XVII (use/marketing restrictions) - **to be verified** (unknown / reach_annex_xvii) - [Source / form](https://echa.europa.eu/substances-restricted-under-reach) ### OEL — Occupational Exposure Limit in the working environment - **to be verified** (unknown / nds_workplace) - How to comply: No NDS data in the MOL-GOD dataset (incomplete set — ~41 of ~600 substances in the list). Absence does NOT mean there is no NDS — check the full list in Dz.U. 2024 poz. 1017 (Regulation of the Ministry of Family and Social Policy of 4 September 2024), and where none exists apply the OEL from EU directives or values recommended by NIOSH/ACGIH. - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20240001017) ### GIS register (precursors / psychotropics) - **to be verified** (unknown / gis_register) - How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market. - [Source / form](https://www.gov.pl/web/gis) ### Safety Data Sheet in Polish - **required** (required / sds_pl) - How to comply: Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17). - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20012112135) ## Data sources - [PubChem CID 7371](https://pubchem.ncbi.nlm.nih.gov/compound/7371) - [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=98-11-3) - [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=98-11-3) --- *Last updated: 2026-09-02 · Generator: MOL-GOD v3.12.33*