2-Fluorobenzenesulphonyl chloride

HCID 137761

Notes Reactions

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Basic information

CAS: 2905-21-7
Standard SMILES: O=S(=O)(Cl)c1ccccc1F
InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N
Molecular formula: C6H4ClFO2S
Average molar mass: 194.61 g/mol
Monoisotopic mass: 193.96045627

Names & identifiers

Preferred name: 2-Fluorobenzenesulphonyl chloride
IUPAC: 2-fluorobenzenesulfonyl chloride
English name: 2-Fluorobenzenesulfonyl chloride
Molecular formula: C6H4ClFO2S
Molecular weight: 194.61

Names & synonyms

2905-21-72-Fluorobenzenesulphonyl chlorideDTXSID00183286RefChem:87145DTXCID10105777ZSZKAQCISWFDCQ-UHFFFAOYSA-N2-Fluorobenzenesulfonyl chloride2-Fluorobenzene-1-Sulfonyl ChlorideBENZENESULFONYL CHLORIDE, 2-FLUORO-2-fluoro-benzenesulfonyl chloride2-FluorobenzenesulfonylchlorideMFCD00042285

Show more names

2-FluorobenzBUTTPARK 27\04-292-FLUOROBENZENESULFONYL2-FluoroPhenylsulfonylChlorideo-Fluorobenzenesulfonyl Chloride2-FluorobenzenesulfonylChloride>BENZENESULFONYL CHLORIDE, 2-FLUORO-

chloro(2-fluorophenyl)sulfone2-fluorophenylsulfonyl chlorideSCHEMBL164122-fluoro-benzenesulfonylchloride2-fluoro-benzensulfonyl chlorideSCHEMBL306059112-Fluorobenzene-sulfonyl chloride2-fluorobenzene-1-sulfonylchloride

Database identifiers

CAS: 2905-21-7
PubChem CID: 137761
DTXSID: DTXSID00183286
EC Number: 628-227-6
Nikkaji: J2.424.107F

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 27 · 27-30 °C (lit.)
Boiling point: 246 · 246-247 °C (lit.)
Density: 1.47 g/mL · 1.47 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.537(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
Specific Gravity: 1.47 · 1.470
color: Clear colorless
Sensitive: Moisture Sensitive
BRN: 2093979 · 2093979
InChI: 1S/C6H4ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h1-4H
InChIKey: ZSZKAQCISWFDCQ-UHFFFAOYSA-N
SMILES: Fc1ccccc1S(Cl)(=O)=O
CAS DataBase Reference: 2905 · 2905-21-7(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,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-27-36/37/39-45
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
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

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 · 4 items

Danger

H302 (43.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (43.5%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
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)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 2 items

Uses2-Fluorobenzenesulfonyl chloride may be used in the preparation of the following furan derivatives:2-(2-fluorophenyl)benzofuran2-butyl-5-(2-fluorophenyl)furan2-(2-fluorophenyl)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuranIt may also be used to prepare:2-fluorobenzenesulfonamidemethyl 2-{[(2-fluorophenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-1-naphthalenecarboxylatepotassium fluorobenzene-2-sulfonate1-(2-bromobenzyl)-2-(2-fluorophenyl)pyrrole

General Description2-Fluorobenzenesulfonyl chloride, also known as o-fluorobenzenesulfonyl chloride, is a flurinated arylsulfonyl chloride. It can be prepared from o-benzenedisulfonyl fluoride.

Upstream & downstream products

Upstream raw materials

2-Fluorothiophenol 2-Fluoroaniline

Downstream products

1-(2-fluorophenyl)sulfonylpiperazine sodium:2-fluorobenzenesulfinate

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

149 records

New reaction record

HRID 18893As reactantuspto-grants-2010_06

HRID 28715As reactantuspto-grants-2008_09

HRID 60093As reactantuspto-grants-2016_09

HRID 60117As reactantuspto-grants-2016_09

HRID 75839As reactantuspto-grants-2014_09

HRID 85972As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87162As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96379As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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