CAS 60230-36-6 2,6-Difluorobenzenesulfonyl chloride (HCID 2734271)

Names & identifiers

Preferred name: 2,6-Difluorobenzenesulfonyl chloride
IUPAC: 2,6-difluorobenzenesulfonyl chloride
English name: 2,6-Difluorobenzenesulfonyl chloride
Molecular formula: C6H3ClF2O2S
Molecular weight: 212.6

Names & synonyms

2,6-Difluorobenzenesulfonyl chloride60230-36-6QXWAUQMMMIMLTO-UHFFFAOYSA-DTXSID50370189RefChem:83229DTXCID80321225626-498-5InChI=1/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H2,6-Difluorobenzene-1-Sulfonyl Chloride2,6-difluorobenzenesulfonylchlorideBENZENESULFONYL CHLORIDE, 2,6-DIFLUORO-2,6-difluorobenzenesulphonyl chloride

Show more names

BUTTPARK 27\04-272,6-DIFLUOROBENZENESULFONYL,6-Difluorobenzene-1-sulfonyl chloride2,6-DifluorobenzenesulfonylChloride>BENZENESULFONYL CHLORIDE, 2,6-DIFLUORO-2,6-Difluorobenzenesulphonylchloride98%2,6-Difluorobenzenesulfonyl chloride,98%

MFCD000850042,6-difluorobenzene sulfonyl chloride(2,6-difluorophenyl)chlorosulfoneSCHEMBL5328872,6-diflurobenzenesulfonyl chlorideSBB0637742,6-difluoro-benzenesulfonyl chloride2,6-difluorobenzene-sulphonyl chloride

Database identifiers

CAS: 60230-36-6
PubChem CID: 2734271
DTXSID: DTXSID50370189
EC Number: 626-498-5
Nikkaji: J2.644.423C

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 239

Physicochemical properties

Boiling point: 210 °C · 210 °C (lit.)
Density: 1.568 g/mL · 1.568 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to lump to clear liquid
color: White or Colorless to Light yellow
Sensitive: Moisture Sensitive
InChI: InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-4(8)2-1-3-5(6)9/h1-3H
InChIKey: VHCVYGNNCGAWBP-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=C(F)C=CC=C1F
CAS DataBase Reference: 60230 · 60230-36-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
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
REACH Registrations: Active
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24491

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: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
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: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

Uses2,6-Difluorobenzenesulfonyl chloride may be used in the synthesis of 2,6-difluorobenzenesulfonamide and benzoxathiazocine 1,1-dioxides core scaffolds.

General Description2,6-Difluorobenzenesulfonyl chloride can be prepared by reacting difluorophenyllithium with sulfuryl chloride.