Basic information
- CAS
220227-21-4- Standard SMILES
O=S(=O)(Cl)c1cc(F)c(F)cc1F- InChIKey
STCZWXXRRTWRSK-UHFFFAOYSA-N- Molecular formula
- C6H2ClF3O2S
- Average molar mass
- 230.59 g/mol
- Monoisotopic mass
- 229.94161264
Names & identifiers
- Preferred name
- 2,4,5-Trifluorobenzenesulfonyl chloride
- IUPAC
- 2,4,5-trifluorobenzenesulfonyl chloride
- English name
- 2,4,5-Trifluorobenzenesulfonyl chloride
- Molecular formula
- C6H2ClF3O2S
- Molecular weight
- 230.59
Names & synonyms
2,4,5-trifluorobenzenesulfonyl Chloride220227-21-4DTXSID40380318RefChem:245570DTXCID80331344642-467-92,4,5-trifluorobenzene-1-sulfonyl chlorideMFCD000776002,4,5-trifluorobenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,4,5-trifluoro-2,4,5-Trifluorophenyl sulfonyl chloride2,4,5-Trifluoro-benzenesulfonyl chloride
Show more names
2,4,5-TrifluoBUTTPARK 23\07-752,4,5-Trifluorobenze2,4,5-trifluorobenzenesulfonyl chloridBenzenesulfonyl chloride, 2,4,5-trifluoro- (9CI)2,4,5-Trifluorobenzenesulfonyl chloride ISO 9001：2015 REACH
SCHEMBL320605SCHEMBL29835175STCZWXXRRTWRSK-UHFFFAOYSA-NSBB063776chloro(2,4,5-trifluorophenyl)sulfoneAKOS005255101CS-W0088122,4,5-trifluro benzenesulfonyl chloride
Database identifiers
- CAS
220227-21-4- PubChem CID
- 2776979
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 240.1 · 240.1±35.0 °C(Predicted)
- Density
- 1 · 1,657 g/cm3
- refractive index
- 1.503 · 1.503
- Flash point
- 100 ° · >100°(212°F)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C6H2ClF3O2S/c7-13(11,12)6-2-4(9)3(8)1-5(6)10/h1-2H
- InChIKey
- STCZWXXRRTWRSK-UHFFFAOYSA-N
- SMILES
- Fc1cc(F)c(cc1F)S(Cl)(=O)=O
- CAS DataBase Reference
- 220227 · 220227-21-4(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
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
This chemical does not meet GHS hazard criteria for 79.2% (38 of 48) of all reports.
Danger
H314 (20.8%): 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (20.8%)
Safety data
- wgk
- WGK 3
- ridadr
- 3265
- hs_code
- 2904990090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H314-H318
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers90 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司
Related reactions
30 records
Compound notes
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