Bis(difluoromethylsulfinyloxy)zinc
Basic information
- CAS
1355729-38-2- Standard SMILES
O=S(O)C(F)F.O=S(O)C(F)F.[Zn]- InChIKey
RQZULCLQVHAIAM-UHFFFAOYSA-N- Molecular formula
- C2H4F4O4S2Zn
- Average molar mass
- 297.6 g/mol
- Monoisotopic mass
- 295.877855
Names & identifiers
- Preferred name
- Bis(difluoromethylsulfinyloxy)zinc
- IUPAC
- bis(difluoromethanesulfinic acid);zinc
- English name
- Zinc difluoroMethanesulfinate
- Molecular formula
- CH2F2O2SZn
- Molecular weight
- 181.46
Names & synonyms
1562989-18-7Bis(difluoromethylsulfinyloxy)zincZinc difluoromethanesulphinateRefChem:569060802-840-0836-179-41355729-38-2bis(((difluoromethyl)sulfinyl)oxy)zinc(DIFLUOROMETHANESULFINYLOXY)ZINCIO DIFLUOROMETHANESULFINATEDFMSdifluoromethanesulfinic acid;zincSY272593
Show more names
ZincdifluoromethanesulphinateZinc difluoromethanesulfinateZinc difluoroMethanesulfinate 95%Zinc(II) difluoromethanesulfinateBaran difluoromethylation reagentdifluoromethaneisosulfonylacidzinc1,1-difluoro-methanesulfinic acid zinc salt (2:1)
MFCD23134675C2H2F4O4S2ZnZinc(II)difluoromethanesulfinateSCHEMBL14992879AT25008SCHEMBL15566746UGEYAPVLXKEKMP-UHFFFAOYSA-LZinc difluoromethanesulfinate, 95%
Database identifiers
- CAS
1355729-38-2、1562989-18-7- PubChem CID
- 86716004
- EC Number
- 802-840-0、836-179-4
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 126 · 126 - 129°C
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/CH2F2O2S.Zn/c2-1(3)6(4)5;/h1H,(H,4,5);
- InChIKey
- RQZULCLQVHAIAM-UHFFFAOYSA-N
- SMILES
- C(F)(F)S(O)=O.[Zn]
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- 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-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesZinc Difluoromethanesulfinate (CAS# 1355729-38-2) is a useful compound for the preparation of phenylethynes as NF-κB inhibitors.
General DescriptionMaterial is complexed with up to 1 equivalent of ZnCl2
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Compound notes
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