Basic information
- CAS
207974-14-9- Standard SMILES
O=S(=O)(Cl)c1cc(F)c(Br)cc1F- InChIKey
SBMKFWMFNIEPDN-UHFFFAOYSA-N- Molecular formula
- C6H2BrClF2O2S
- Average molar mass
- 291.5 g/mol
- Monoisotopic mass
- 289.86154652
Names & identifiers
- Preferred name
- 4-Bromo-2,5-difluorobenzenesulfonyl Chloride
- IUPAC
- 4-bromo-2,5-difluorobenzenesulfonyl chloride
- English name
- 4-BROMO-2,5-DIFLUOROBENZENESULFONYL CHLORIDE
- Molecular formula
- C6H2BrClF2O2S
- Molecular weight
- 291.5
Names & synonyms
207974-14-94-Bromo-2,5-difluorobenzenesulfonyl chlorideDTXSID50341632RefChem:98023DTXCID70292713627-495-1SBMKFWMFNIEPDN-UHFFFAOYSA-N4-Bromo-2,5-difluorobenzene-1-sulfonylchloride4-bromo-2,5-difluorobenzenesulphonyl chloride4-bromo-2,5-difluorobenzene-1-sulfonyl chlorideMFCD00042181Benzenesulfonyl chloride, 4-bromo-2,5-difluoro-
Show more names
BUTTPARK 23\07-77TIMTEC-BB SBB0059084-BROMO-2,5-DIFLUORO4-BROMO-2,5-DIFLUOROBEN4-BROMO-2,5-DIFLUOROBENZENESULFONYL CHL&2,5-Difluoro-4-bromobenzenesulfonyl chloride4-Bromo-2,5-difluorobenzene-1-sulfonyl chlorid4-Bromo-2,5-difluorobenzenesulfonylChloride>
4-bromo-2,5-difluorobenzenesulfonylchloride4-bromo-2,5-difluoro-benzenesulfonyl chlorideSCHEMBL384682SCHEMBL29835220SBB005908AKOS005259101CS-W009997AS-18792
Database identifiers
- CAS
207974-14-9- PubChem CID
- 574590
- DTXSID
DTXSID50341632- EC Number
- 627-495-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 38 · 38-42 °C (lit.)
- Boiling point
- 76 °C · 76°C 0,01mm
- Density
- 1.934 · 1.934±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Acetone
- form
- Crystalline Powder or Crystals
- color
- White to yellow or orange, may darken on storage
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C6H2BrClF2O2S/c7-3-1-5(10)6(2-4(3)9)13(8,11)12/h1-2H
- InChIKey
- SBMKFWMFNIEPDN-UHFFFAOYSA-N
- SMILES
- Fc1cc(c(F)cc1Br)S(Cl)(=O)=O
- CAS DataBase Reference
- 207974 · 207974-14-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive/Moisture Sensitive
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049090 · 29049090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- 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)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
27 records
Compound notes
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