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Basic information
- CAS
121-04-0- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O- InChIKey
LTYBYSFEGHYUDB-UHFFFAOYSA-N- Molecular formula
- C7H8O6S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 251.97623032
Names & identifiers
- Preferred name
- 4-Methyl-1,3-benzenedisulfonic acid
- IUPAC
- 4-methylbenzene-1,3-disulfonic acid
- English name
- Toluol-2,4-disulfonsure
- Molecular formula
- C7H8O6S2
- Molecular weight
- 252.26
Names & synonyms
4-methylbenzene-1,3-disulfonic acid1,3-Benzenedisulfonic acid, 4-methyl-121-04-0toluene-2,4-disulfonic acidToluene-2,4-disulphonic acid4-METHYL-1,3-BENZENEDISULFONIC ACID1,3-Benzenesulfonic acid, 4-methyl-E463GM9TD8EINECS 204-446-9DTXSID70595174-METHYL-1,3-BENZENEDISULPHONIC ACID4-METHYLBENZENE-1,3-DISULPHONIC ACID
Show more names
Toluol-2,4-disulfonsure
1,3-BENZENEDISULPHONIC ACID, 4-METHYL-RefChem:524882DTXCID6033663204-446-9UNII-E463GM9TD8SCHEMBL153280SCHEMBL5156772SCHEMBL10508320
Database identifiers
- CAS
121-04-0- PubChem CID
- 67129
- DTXSID
DTXSID7059517- UNII
- E463GM9TD8
- EC Number
- 204-446-9
- Nikkaji
- J30.610J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 295 · 295-297 °C
- Density
- 1.667 · 1.667±0.06 g/cm3(Predicted)
- pka
- -1.06 · -1.06±0.45(Predicted)
- FDA UNII
- 463 GM9TD8 · E463GM9TD8
- EPA Substance Registry System
- 1 · 1,3-Benzenedisulfonic acid, 4-methyl- (121-04-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesUsed in the manufacture of 4-formyl-1,3-benzenedisulfonic acid, 4-car- boxy-1,3-benzenedisulfonic acid, and 4-methyl-resorcinol.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
山东富创医药科技有限公司0531-88792816 18663705731 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
3 records
Compound notes
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