3-Chloro-4-fluorobenzenesulphonyl chloride

HCID 145222CAS 91170-93-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(Cl)c1ccc(F)c(Cl)c1
InChIKey: DXFXNSNBZNELII-UHFFFAOYSA-N
Molecular formula: C6H3Cl2FO2S
Average molar mass: 229.06 g/mol
Monoisotopic mass: 227.92148392

Names & identifiers

Preferred name: 3-Chloro-4-fluorobenzenesulphonyl chloride
IUPAC: 3-chloro-4-fluorobenzenesulfonyl chloride
English name: 3-Chloro-4-fluorobenzenesulfonyl chloride
Molecular formula: C6H3Cl2FO2S
Molecular weight: 229.06

Names & synonyms

91170-93-33-Chloro-4-fluorobenzenesulphonyl chlorideDTXSID90238436RefChem:93424DTXCID10160927DXFXNSNBZNELII-UHFFFAOYSA-N3-Chloro-4-fluorobenzenesulfonyl chloride3-chloro-4-fluorobenzene-1-sulfonyl chlorideMFCD000414443-Chloro-4-fluorobenzenesulphonylchlorideBenzenesulfonyl chloride, 3-chloro-4-fluoro-3-chloro-4-fluorophenylsulfonyl chloride

Show more names

1170-93-33-CHLORO-4-FLUOROBEN3-Chloro-4-fluorobenzenesul3-Chloro-4-fluorobenzene chloride3-Chloro-4-fluorobenzenesulphonylchloride98%3-Chloro-4-fluorobenzenesulfonyl chloride,99%

3-Chloro-4-fluorobenzenesulfonyl chlorid3-chloro-4-fluoro-benzenesulfonyl chlorideSCHEMBL67606ALBB-001011SBB046747STK502402AKOS000265230chloro(3-chloro-4-fluorophenyl)sulfone

Database identifiers

CAS: 91170-93-3
PubChem CID: 145222
DTXSID: DTXSID90238436
EC Number: 628-259-0
Nikkaji: J2.447.026A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 249

Physicochemical properties

Boiling point: 104 · 104-105 °C1 mm Hg(lit.)
Density: 1.61 g/mL · 1.610 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5220(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Light yellow to Yellow to Orange
Sensitive: Moisture Sensitive
CAS DataBase Reference: 91170 · 91170-93-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H318-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a
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
Limited Quantities: 1 L · 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)

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 50 reports by companies from 5 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

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
packing_group: II
Hazard statements: H290-H318-H314
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)
Precautionary statements: P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a