CAS 220239-64-5 2,4,6-Trifluorobenzenesulfonyl chloride (HCID 2776983)

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Basic information

CAS: 220239-64-5
Standard SMILES: O=S(=O)(Cl)c1c(F)cc(F)cc1F
InChIKey: XINCBNCLCIQIJM-UHFFFAOYSA-N
Molecular formula: C6H2ClF3O2S
Average molar mass: 230.59 g/mol
Monoisotopic mass: 229.9416127

Names & identifiers

Preferred name: 2,4,6-Trifluorobenzenesulfonyl chloride
IUPAC: 2,4,6-trifluorobenzenesulfonyl chloride
English name: 2,4,6-Trifluorobenzenesulfonyl chloride
Molecular formula: C6H2ClF3O2S
Molecular weight: 230.59

Names & synonyms

220239-64-52,4,6-trifluorobenzenesulfonyl ChlorideDTXSID00380319RefChem:245779DTXCID40331345638-891-92,4,6-trifluorobenzene-1-sulfonyl chloride2,4,6-trifluorobenzenesulphonyl chlorideMFCD01091015SCHEMBL1500909XINCBNCLCIQIJM-UHFFFAOYSA-NSBB097646

Show more names

BUTTPARK 25\07-392,4,6-Trifluorophenylsulfonylchloride2,4,6-Trifluorobenzenesulfonylchloride,97%Benzenesulfonyl chloride, 2,4,6-trifluoro-2,4,6-Trifluorobenzenesulphonylchloride98%2,4,6-Trifluorophenylsulfonylchloride ,98%2,4,6-Trifluorobenzenesulphonyl chloride 98%Benzenesulfonyl chloride, 2,4,6-trifluoro- (9CI)

chloro(2,4,6-trifluorophenyl)sulfoneAKOS000150168AT11566PS-10810SY1733972,4,6-trifluorobenzene-1-sulfonylchlorideEN300-512422,4,6-Trifluorobenzenesulfonyl chloride, 97%

Database identifiers

CAS: 220239-64-5

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 264

Physicochemical properties

Boiling point: 222.1 · 222.1±35.0 °C(Predicted)
Density: 1.637 g/mL · 1.637 g/mL at 25 °C
refractive index: 20 · n20/D1.508
Flash point: 110 ℃ · >110℃
storage temp.: Inert atmosphere,Room Temperature
form: liquid
color: Clear, colourless
Sensitive: Moisture Sensitive
InChI: 1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey: XINCBNCLCIQIJM-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(c(F)c1)S(Cl)(=O)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314

Safety & regulation

GHS classification

GHS Classification · 5 items

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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.