Basic information
- CAS
13438-45-4- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1.[Zn+2]- InChIKey
YISPIDBWTUCKKH-UHFFFAOYSA-L- Molecular formula
- C14H14O6S2Zn
- Average molar mass
- 407.8 g/mol
- Monoisotopic mass
- 405.952322
Names & identifiers
- Preferred name
- Zinc di(toluene-4-sulphonate)
- IUPAC
- zinc bis(4-methylbenzenesulfonate)
- English name
- ZINC(II) P-TOLUENESULFONATE
- Molecular formula
- C14H14O6S2Zn
- Molecular weight
- 407.78
Names & synonyms
13438-45-4Zinc di(toluene-4-sulphonate)DTXSID8065456RefChem:388553DTXCID2034207236-576-7zinc p-toluenesulfonateBenzenesulfonic acid, 4-methyl-, zinc saltzinc tosylatezinc(II) p-toluenesulfonatezinc;4-methylbenzenesulfonateBenzenesulfonic acid, 4-methyl-, zinc salt (2:1)
Show more names
(CH3C6H4SO3)2Znzinc(II) tosylateZinc toluenesulfonateZinc[] p-toluenesulfonateZinc[Ⅱ] p-toluenesulfonateZinc bis(p-toluenesulfonate)p-toluenesulfonic acid zinc salt
EINECS 236-576-7zincp-toluenesulfonatezinc p-toluene sulfonateSCHEMBL150890Zinc bis(4-methylbenzene-1-sulfonate)NS00087818
Database identifiers
- CAS
13438-45-4- PubChem CID
- 83452
- DTXSID
DTXSID8065456- EC Number
- 236-576-7
- Nikkaji
- J182.304C
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
- form
- powder
- BRN
- 4339837 · 4339837
- InChI
- 1S/2C7H8O3S.H2O.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*2-5H,1H3,(H,8,9,10);1H2;/q;;;+2/p-2
- InChIKey
- JCOXFVWERPVZPB-UHFFFAOYSA-L
- SMILES
- O.[Zn++].Cc1ccc(cc1)S([O-])(=O)=O.Cc2ccc(cc2)S([O-])(=O)=O
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-methyl-, zinc salt (13438-45-4)
- UNSPSC Code
- 12352302 · 12352302
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2904100090 · 2904100090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.
Warning
H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-methyl-, zinc salt
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2904100090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, zinc salt (2:1): ACTIVE
Suppliers13 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
大连丰瑞化学制品有限公司+86-86-411-84820922 +86-8613904096939 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
1 records
Compound notes
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