Basic information
- CAS
175278-08-7- Standard SMILES
O=S(=O)(Cl)c1ccc(F)c(F)c1F- InChIKey
XFTDZYFHXRZLEF-UHFFFAOYSA-N- Molecular formula
- C6H2ClF3O2S
- Average molar mass
- 230.59 g/mol
- Monoisotopic mass
- 229.94161264
Names & identifiers
- Preferred name
- 2,3,4-Trifluorobenzenesulfonyl chloride
- IUPAC
- 2,3,4-trifluorobenzenesulfonyl chloride
- English name
- 2,3,4-Trifluorobenzenesulfonyl chloride
- Molecular formula
- C6H2ClF3O2S
- Molecular weight
- 230.59
Names & synonyms
175278-08-72,3,4-Trifluorobenzenesulfonyl chlorideDTXSID20380316RefChem:81312DTXCID60331342624-262-62,3,4-Trifluorobenzene-1-Sulfonyl Chloride2,3,4-Trifluorobenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,3,4-trifluoro-MFCD001025732,3,4-trifluorophenylsulfonyl chloride2,3,4-trifluoro-benzenesulfonyl chloride
Show more names
BUTTPARK 44\07-122,3,4-Trifluorobenz2,3,4-Triflurobenzenesulfonylchloride2,3,4-Trifluorobenzenesulphonylchloride97%2,3,4-Trifluorobenzenesulfonyl chloride 97%2,3,4-Trifluorobenzenesulphonyl chloride 97%
SCHEMBL533092SCHEMBL29668868XFTDZYFHXRZLEF-UHFFFAOYSA-NSBB066471chloro(2,3,4-trifluorophenyl)sulfoneAKOS000200708PB41262234-Trifluorobenzene-1-sulfonyl chloride
Database identifiers
- CAS
175278-08-7- PubChem CID
- 2776977
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
- Melting point
- 122 · 122-124 °C
- Boiling point
- 234 · 234-236 °C(lit.)
- Density
- 1.64 g/mL · 1.640 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5040(lit.)
- Flash point
- 225 °F · 225 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- color
- Clear, faint yellow
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C6H2ClF3O2S/c7-13(11,12)4-2-1-3(8)5(9)6(4)10/h1-2H
- InChIKey
- XFTDZYFHXRZLEF-UHFFFAOYSA-N
- SMILES
- Fc1ccc(c(F)c1F)S(Cl)(=O)=O
- CAS DataBase Reference
- 175278 · 175278-08-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2904990090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-39-37-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses2,3,4-Trifluorobenzenesulfonyl chloride may be used as an arylating agent during the synthesis of (2,3,4-trifluorophenyl)furan derivatives. It may also be employed during the preparation of 1-(2-bromobenzyl)-2,5-bis(2,3,4-trifluorophenyl)pyrrole and 1-(2-bromobenzyl)-2-(2,3,4-trifluorophenyl)pyrrole.
General Description2,3,4-Trifluorobenzenesulfonyl chloride may be used as an arylating agent during the synthesis of (2,3,4-trifluorophenyl)furan derivatives. It may also be employed during the preparation of 1-(2-bromobenzyl)-2,5-bis(2,3,4-trifluorophenyl)pyrrole and 1-(2-bromobenzyl)-2-(2,3,4-trifluorophenyl)pyrrole.
Suppliers55 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
18 records
Compound notes
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