Basic information
- CAS
3406-84-6- Standard SMILES
O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1- InChIKey
OTFAWEIFBPUXOH-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O4S2
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 349.9241061
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4,4'-disulfonyl dichloride
- IUPAC
- 4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
- English name
- 4,4'-Biphenyldisulfonyl chloride
- Molecular formula
- C12H8Cl2O4S2
- Molecular weight
- 351.23
Names & synonyms
[1,1'-Biphenyl]-4,4'-disulfonyl dichloridep,p'-Diphenyldisulfonyl chloride4,4'-Biphenylylenedisulfonyl chlorideEINECS 222-293-6DTXSID6063016NSC 20624,4'-Bis(phenylsulphonyl) dichloride(1,1'-Biphenyl)-4,4'-disulfonyl dichlorideRefChem:391088DTXCID7038785222-293-63406-84-6
Show more names
biphenyl-44'-disulfonyl dichloride4-Biphenyldisulphonyl chloride4,4'-Biphenyldisulfonyl chlorid4,4'-DIPHENYLDISULFONYL CHLORIDE4,4'-Bis(chlorosulfonyl)biphenyl
4,4'-Biphenyldisulfonyl chloridebiphenyl-4,4'-disulfonyl dichloride4,4-Biphenyldisulfonyl Chloride4-(4-chlorosulfonylphenyl)benzenesulfonyl chlorideMFCD000074474,4'-Disulfonylchloride biphenyl4,4 inverted exclamation mark -Biphenyldisulfonyl chlorideCS-0168161
Database identifiers
- CAS
3406-84-6- PubChem CID
- 76950
- DTXSID
DTXSID6063016
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 205 · 205-208 °C(lit.)
- Boiling point
- 476.7 · 476.7±38.0 °C(Predicted)
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Decomposes in contact with water,Insoluble in water
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 2222668 · 2222668
- InChI
- 1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H
- InChIKey
- OTFAWEIFBPUXOH-UHFFFAOYSA-N
- SMILES
- ClS(=O)(=O)c1ccc(cc1)-c2ccc(cc2)S(Cl)(=O)=O
- CAS DataBase Reference
- 3406 · 3406-84-6(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4,4'-disulfonyl dichloride (3406-84-6)
- UNSPSC Code
- 12352100 · 12352100
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, 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 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4,4'-disulfonyl dichloride: ACTIVE
Applications
UsesBiphenyl-4,4′-disulfonyl chloride was used in the synthesis of 6A,6D-diamino-6A,6D-dideoxy-β-cyclodextrin.
General DescriptionBiphenyl-4,4′-disulfonyl chloride reacts with cycloinulohexaose in pyridine to form capped cyclofructan, 6A,6C-di-O-(biphenyl-4,4′-disulfonyl)-cycloinulohexaose.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers61 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉布林科技有限公司
Related reactions
7 records
Compound notes
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