2-Bromobenzenesulfonyl chloride
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Basic information
- CAS
2905-25-1- Standard SMILES
O=S(=O)(Cl)c1ccccc1Br- InChIKey
VFPWGZNNRSQPBT-UHFFFAOYSA-N- Molecular formula
- C6H4BrClO2S
- Average molar mass
- 255.52 g/mol
- Monoisotopic mass
- 253.88039015
Names & identifiers
- Preferred name
- 2-Bromobenzenesulfonyl chloride
- IUPAC
- 2-bromobenzenesulfonyl chloride
- English name
- 2-Bromobenzenesulphonyl chloride
- Molecular formula
- C6H4BrClO2S
- Molecular weight
- 255.52
Names & synonyms
2-Bromobenzenesulfonyl chlorideRefChem:467206628-301-82905-25-12-Bromobenzenesulphonyl chloride2-Bromobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 2-bromo-2-bromophenylsulfonyl chlorideMFCD000519712-bromo-benzenesulfonyl chloride(2-bromophenyl)chlorosulfone2-Bromobenzenesulphonylchloride
Show more names
O-BROMOBENZENESULFONYL CHLORIDE2-bromob2-Bromobenzenesulfonyl2-BROMOSULFONYL CHLORIDE2-bromobeneze sulfonyl chloride2-Bromobenzenesulphony I chloride
Benzenesulfonyl chloride, bromo-Brombenzolsulfochloridbromobenzenesulfonyl chlorideSCHEMBL8071bromobenzene sulfonyl chloride28906-36-76-bromophenylsulfonyl chloride2-bromo-benzenesulfonylchloride
Database identifiers
- CAS
2905-25-1- PubChem CID
- 520403
- DTXSID
DTXSID00951644- EC Number
- 628-301-8
- Nikkaji
- J2.440.443I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 49 · 49-52 °C (lit.)
- Boiling point
- 98 · 98-100°C (0.5 torr)
- Density
- 1.791 · 1.7910 (estimate)
- Flash point
- 127 · 127-128°C/2.4mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Crystalline Powder
- color
- Slightly yellow
- Sensitive
- Moisture Sensitive
- BRN
- 2692202 · 2692202
- InChI
- InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
- InChIKey
- VFPWGZNNRSQPBT-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=CC=C1Br
- CAS DataBase Reference
- 2905 · 2905-25-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Bromobenzenesulfonyl chloride(2905-25-1)
- 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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses2-Bromobenzenesulfonyl chloride may be used in the following:Preparation of 2-bromobenzenesulfonic acid phenyl ester.For the sufonylation during the synthesis of 2-bromobenzenesulfonamide.Synthesis of chiral 2-(p-toluenesulfinyl)benzenesulfonamide.
General Description2-Bromobenzenesulfonyl chloride can be synthesized from 2-aminobenzenesulfonic acid.
Upstream & downstream products
Downstream products
Related reactions
80 records
Compound notes
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