Benzenesulfonyl chloride, 2,4-dichloro-

HCID 204419

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16271-33-3
Standard SMILES: O=S(=O)(Cl)c1ccc(Cl)cc1Cl
InChIKey: FDTPBIKNYWQLAE-UHFFFAOYSA-N
Molecular formula: C6H3Cl3O2S
Average molar mass: 245.5 g/mol
Monoisotopic mass: 243.89193338

Names & identifiers

Preferred name: Benzenesulfonyl chloride, 2,4-dichloro-
IUPAC: 2,4-dichlorobenzenesulfonyl chloride
English name: 2,4-Dichlorobenzenesulfonyl chloride
Molecular formula: C6H3Cl3O2S
Molecular weight: 245.51

Names & synonyms

2,4-Dichlorobenzenesulfonyl chloride16271-33-3Benzenesulfonyl chloride, 2,4-dichloro-BRN 2806192DTXSID401674444-11-00-00132 (Beilstein Handbook Reference)RefChem:118097DTXCID0089935FDTPBIKNYWQLAE-UHFFFAOYSA-N2,4-Dichlorobenzene-1-Sulfonyl Chloride2,4-dichloro-benzenesulfonyl chloride2,4-dichlorobenzenesulphonyl chloride

Show more names

BUTTPARK 96\57-472,4-Dichlorobenzenes2,4-dichlorophenylsulfonylchloride2,4-dichloro-benzenesulfonylchlorid2,4-DichlorobenzenesulfonylChloride>2,4-DICHLOROBENZENE-1-SULFONYL CHLORIDE4-(Chlorosulphonyl)-1,3-dichlorobenzene

2,4-DichlorobenzenesulfonylchlorideMFCD00052712(2,4-dichlorophenyl)chlorosulfone2,4-dichlorophenylsulfonyl chloride2,4-DichlorobenzenesulphonylchlorideSCHEMBL444929orb1985116SCHEMBL29519358

Database identifiers

CAS: 16271-33-3
PubChem CID: 204419
DTXSID: DTXSID40167444
EC Number: 628-025-8
Nikkaji: J41.351H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 246

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 55 · 55-58 °C (lit.)
Boiling point: 114 · 114-115°C/0.1mm
Density: 1.636 · 1.636±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Crystalline Powder
color: White to light beige
Sensitive: Moisture Sensitive
BRN: 2806192 · 2806192
Stability: Moisture Sensitive
InChI: 1S/C6H3Cl3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKey: FDTPBIKNYWQLAE-UHFFFAOYSA-N
SMILES: Clc1ccc(c(Cl)c1)S(Cl)(=O)=O
CAS DataBase Reference: 16271 · 16271-33-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 2 · Benzenesulfonyl chloride, 2,4-dichloro-(16271-33-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 8927500 · DB8927500
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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

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

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.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
rtecs: DB8927500
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
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)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses2,4-Dichlorobenzenesulfonyl chloride may be used in the preparation of 2,4-dichlorothiophenol.

General Description2,4-Dichlorobenzenesulfonyl chloride, also known as 2,4-dichlorophenylsulfonyl chloride, is an aryl sulfonyl chloride derivative. It participates in the synthesis of hexahydropyrazino[1,2-a]pyrimidine derivatives.

Upstream & downstream products

Upstream raw materials

Downstream products

2,4-Dichlorobenzenesulfonic acid 2,4-Dichlorobenzenesulfonamide

Suppliers100 total

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

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

Related reactions

143 records

New reaction record

HRID 18871As reactantuspto-grants-2010_06

HRID 21177As reactantuspto-grants-2010_06

HRID 23924As reactantuspto-grants-2005_02

HRID 23925As reactantuspto-grants-2005_02

HRID 94684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119502As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 120760As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 168254As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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