Basic information
- CAS
175278-64-5- Standard SMILES
O.O.O=S([O-])c1ccc(Br)cc1.[Na+]- InChIKey
SEHRIJWUZPAQNR-UHFFFAOYSA-M- Molecular formula
- C6H8BrNaO4S
- Average molar mass
- 279.09 g/mol
- Monoisotopic mass
- 277.92243612
Names & identifiers
- Preferred name
- Sodium 4-bromobenzene-1-sulfinate--water (1/1/2)
- IUPAC
- sodium;4-bromobenzenesulfinate;dihydrate
- English name
- 4-Bromobenzenesulfinic acid sodium salt dihydrate
- Molecular formula
- C6H8BrNaO3S
- Molecular weight
- 263.08
Names & synonyms
175278-64-5DTXSID60635594Sodium 4-bromobenzene-1-sulfinate--water (1/1/2)RefChem:380680DTXCID10586345Sodium 4-bromobenzenesulfinate Dihydrate4-BROMOBENZENESULFINIC ACID SODIUM SALT DIHYDRATESodium 4-bromobenzene-1-sulphinate dihydratesodium;4-bromobenzenesulfinate;dihydrateMFCD00210139Benzenesulfinic acid, 4-bromo-, sodium salt, hydrate (1:1:2)Sodium 4-bromobenzenesulfinate, dihydrate
Show more names
4-bromobenzenesulfi4-BROMOBENZENESULFINIC ACID4-Bromobenzenesulfonic acid sodium salt 2-hydrate4-BROMOBENZENESULFONIC ACID SODIUM SALT DIHYDRATE4-BROMOBENZENESULFINIC ACID SODIUM SALT 2-HYDRATE
sodium 4-bromobenzene-1-sulfinate dihydrate4-Bromobenzenesulfinic acid sodium saltC6H8BrNaO4SSCHEMBL3165297BUTTPARK 120\07-61AKOS016009940sodium 4-bromophenylsulfinate dihydrateAS-80534
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 280 °C · >280°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder
- color
- Fine white
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C6H5BrO2S.Na.H2O.H/c7-5-1-3-6(4-2-5)10(8)9;;;/h1-4H,(H,8,9);;1H2;
- InChIKey
- JCBILQPNNOXBDK-UHFFFAOYSA-N
- SMILES
- S(C1C=CC(Br)=CC=1)(O)=O.[NaH].O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2930909899 · 2930909899
Safety & regulation
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2930909899
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Bromobenzenesulfinic acid sodium salt dehydrate is used in the preparation of unsymmetrical internal alkynes and vinyl sulfones by reaction with alkynes by using palladium as a catalyst.
Suppliers51 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海淖沁生物科技有限公司400-1125320 13774248860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
4 records
Compound notes
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