CAS 1656-44-6|1-(Chlorosulphonyl)-2,4-dinitrobenzene|2,4-Dinitrobenzenesulphonyl chloride|2,4-dinitrobenzene-1-sulfonyl chloride|2,4-dinitrobenzenesulfonyl chloride|2,4-Dinitrobenzenesulfonyl chlori...

Molecular Formula

C₆H₃ClN₂O₆S

Molecular Mass

266.61582

Exact Mass

265.94003451

InChI

InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

InChIKey

SSFSNKZUKDBPIT-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cl)[N+](=O)[O-]

Isomeric Smiles

S(=O)(=O)(c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])Cl

JChem

Acid pKa

17.007135

H Acceptors

H Donor

LogD (pH = 5.5)

1.7995173

LogD (pH = 7.4)

1.7995173

Log P

1.7995173

Molar Refractivity

52.8932

Polarizability

20.580553

Polar Surface Area

120.42

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

74255

Synonyms

1-(Chlorosulphonyl)-2,4-dinitrobenzene2,4-Dinitrobenzenesulphonyl chloride2,4-Dinitrobenzenesulfonyl chloride2,4-二硝基苯磺酰氯2,4-Dinitrobenzene-1-sulfonyl chloride2,4-DINITROBENZENESULFONYL CHLORIDE

IUPAC name

2,4-dinitrobenzene-1-sulfonyl chloride

IUPAC Traditional name

2,4-dinitrobenzenesulfonyl chloride

MDL Number

CAS Number

Beilstein Number

PubChem SID

Storage Warning

Corrosive/Moisture Sensitive

Moisture Sensitive

MSDS Link

Download link

GHS Precautionary statements

P201-P280-P305+P351+P338-P310

P280-P305+P351+P338-P310

P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Safety Statements

53-26-36/37/39-45

26-36/37/39-45

20-26-36/37/39-45

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

German water hazard class

GHS Signal Word

Danger

European Hazard Symbols

Toxic (T)

Corrosive (C)

Hazard Class

GHS Hazard statements

H314-H340-H350-H373

H314

H314-H318

UN Number

3261

UN3096

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

RID/ADR

UN 3261 8/PG 2

Risk Statements

45-46-34-48/20/21/22

Packing Group

TSCA Listed

是

Physical Property

Melting Point

101-103°C

101-103 °C(lit.)

99-103 °C

100-104°C

Product Information

No Data Available

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No Data Available

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MP Biomedicals

05204336

MP Biomedicals Rare Chemical collection

Sigma Aldrich

142956

General description
May contain up to 3.5% benzene
Packaging
5, 25 g in glass bottle

42020

Other Notes
Starting material for the preparation of 2,4-dinitro-benzenesulfonic acid hydrazide; "A useful reagent for the Eschenmoser, α,β-cleavage of α,β-epoxy ketones"1

No Data Available

Click here to submit data

Academic Data

PubChem

74255

Synonyms

IUPAC name

2,4-dinitrobenzene-1-sulfonyl chloride

IUPAC Traditional name

2,4-dinitrobenzenesulfonyl chloride

MDL Number

CAS Number

Beilstein Number

PubChem SID

MP Biomedicals Rare Chemical collection

Sigma Aldrich

142956

General description
May contain up to 3.5% benzene
Packaging
5, 25 g in glass bottle

42020

Other Notes
Starting material for the preparation of 2,4-dinitro-benzenesulfonic acid hydrazide; "A useful reagent for the Eschenmoser, α,β-cleavage of α,β-epoxy ketones"1

No Data Available

Click here to submit data

Safety Information

Physical Property

Melting Point

101-103°C

101-103 °C(lit.)

99-103 °C

100-104°C

Product Information

Molecule

ID:87204