Benzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1)
Basic information
- CAS
7144-37-8- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Cu+2]- InChIKey
MRYMYQPDGZIGDM-UHFFFAOYSA-L- Molecular formula
- C14H14CuO6S2
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 404.952778
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1)
- IUPAC
- copper bis(4-methylbenzenesulfonate)
- English name
- copper bis(4-toluenesulphonate)
- Molecular formula
- C14H14CuO6S2
- Molecular weight
- 405.93336
Names & synonyms
EINECS 230-450-5NSC 54225Benzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1)RefChem:564658Copper(II) tosylate7144-37-8Benzenesulfonic acid, 4-methyl-, copper(2+) saltcopper;4-methylbenzenesulfonateBenzenesulfonic acid,4-methyl-, copper(2+) salt (2:1)MFCD16876470Copper bis(4-toluenesulphonate)Copper(II)tosylate
Show more names
Cu(OTs)?Cu(OTs)2Cu(OTs)2copper(II) p-toluenesulfonateCopper bis(4-toluenesulfonate)copper,4-methylbenzenesulfonateCopper(II) bis(4-toluenesulphonate)paramethylbenzenesulfonylacidcoper(I-I)
copper p-toluenesulfonateC14H14CuO6S2SCHEMBL209067DTXSID7064570MRYMYQPDGZIGDM-UHFFFAOYSA-Lcopper(II) 4-methylbenzenesulfonateAKOS040767394SY476118
Database identifiers
- CAS
7144-37-8- PubChem CID
- 160882
- DTXSID
DTXSID7064570- EC Number
- 230-450-5
- Nikkaji
- J62.917K
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- form
- powder
- Appearance
- Light green to green Solid
- InChI
- 1S/2C7H8O3S.Cu/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
- InChIKey
- MRYMYQPDGZIGDM-UHFFFAOYSA-L
- SMILES
- [Cu+2].[S](=O)(=O)([O-])c2ccc(cc2)C.[S](=O)(=O)([O-])c1ccc(cc1)C
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-methyl-, copper(2+) salt (7144-37-8)
- UNSPSC Code
- 12161600 · 12161600
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- Storage Class
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, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1): ACTIVE
Applications
UsesCopper(II) tosylate is a copper (II) catalyst used for a variety of transformations, including Mannich condensation, Friedel-Crafts reaction, and Henry reaction.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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