Basic information
- CAS
618-01-9- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1C- InChIKey
WYCOJIVDCGJKDB-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506518
Names & identifiers
- Preferred name
- 3,4-Dimethylbenzene-1-sulfonic acid
- IUPAC
- 3,4-dimethylbenzenesulfonic acid
- English name
- 3,4-Dimethylbenzenesulfonic acid
- Molecular formula
- C8H10O3S
- Molecular weight
- 186.23
Names & synonyms
3,4-dimethylbenzene-1-sulfonic acidRefChem:486352969-694-93,4-dimethylbenzenesulfonic Acid618-01-93,4-Dimethyl-benzenesulfonic acidBenzenesulfonic acid, 3,4-dimethyl-MFCD00068353o-xylene-4-sulfonic acid3,4-Dimethylbenzesulfonic acid3,4-Xylenesulfonic acidmethyl p-toluenesulfonic acid
Show more names
SCHEMBL838853,4-dimethylbenzenesulfonicAcidSCHEMBL2468059CHEMBL1624040DTXSID7048031SCHEMBL30487906AAA61801AKOS006275416
Database identifiers
- CAS
618-01-9- PubChem CID
- 14756
- DTXSID
DTXSID7048031- ChEMBL
CHEMBL1624040- EC Number
- 969-694-9
- Nikkaji
- J62.918I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 81 · 81-83℃
- Density
- 1.286 · 1.286
- pka
- -0.36 · -0.36±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H335-H314
- Precautionary statements
- 234 · P234-P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P390-P403+P233-P405-P406-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H290-H335-H314
- Precautionary statements
- P234-P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P390-P403+P233-P405-P406-P501
Chemistry & industry
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
Related reactions
1 records
Compound notes
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