Basic information
- CAS
63995-75-5- Standard SMILES
O=S(=O)([O-])c1cccc(P(c2ccccc2)c2ccccc2)c1.[Na+]- InChIKey
NTUROZDXWLPVHB-UHFFFAOYSA-M- Molecular formula
- C18H14NaO3PS
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.02989676
Names & identifiers
- Preferred name
- Sodium 3-(diphenylphosphino)benzenesulfonate
- IUPAC
- sodium 3-diphenylphosphanylbenzenesulfonate
- English name
- Sodium diphenylphosphinobenzene-3-sulfonate
- Molecular formula
- C18H16NaO3PS
- Molecular weight
- 366.35
Names & synonyms
Sodium 3-(diphenylphosphino)benzenesulfonateRefChem:886983689-423-563995-75-53-(Diphenylphosphino)benzenesulfonic acid sodium saltsodium;3-diphenylphosphanylbenzenesulfonateSodium Diphenylphosphinobenzene-3-sulfonateTriphenylphosphine-3-sulfonic acid sodium saltDiphenylphosphinobenzene-3-sulfonic Acid Sodium SaltMFCD00144157sodium 3-(diphenylphosphanyl)benzene-1-sulfonateTPPMS
Show more names
Sodium 3-(diphenylphosphino)3-(Sodiosulfo)phenyldiphenylphosphineDiphenyl[3-(sodiosulfo)phenyl]phosphineDiphenyl[m-(sodiosulfo)phenyl]phosphine4-(DIPHENYLPHOSPHINO)BENZENESULFONIC ACIDSodiumDiphenylphosphinobenzene-3-sulfonate>TRIPHENYLPHOSPHINE-3-SULFONIC ACID SODIUM SALT
Benzenesulfonic acid, 3-(diphenylphosphino)-, sodium saltSCHEMBL220906SCHEMBL30101292DTXSID90743090NTUROZDXWLPVHB-UHFFFAOYSA-MAKOS015840605sodium m-(diphenylphosphino)benzenesulfonateCS-0086023
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 236 · 236 - 239°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Sparingly), Water (Slightly)
- form
- Powder
- color
- white
- BRN
- 2816567 · 2816567
- Stability
- Hygroscopic
- InChI
- InChI=1S/C18H15O3PS.Na.H/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;;/h1-14H,(H,19,20,21);;
- InChIKey
- PAARFGIFLQCCEH-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=C(S(O)(=O)=O)C=1.[NaH]
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310
- Hazard Codes
- C
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 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
Safety data
- F
- 10-23
- wgk
- 1
- ridadr
- UN 3261 8/PG 3
- hs_code
- 2931.90.6000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesSodium Diphenylphosphinobenzene-3-sulfonate is a water-soluble phosphine ligand used in the formation of water-soluble catalysts.
Uses3-(Diphenylphosphino)benzenesulfonic Acid Sodium Salt can be used as anti-cancer gold compounds.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
2 records
Compound notes
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