2,4-Dinitrobenzolsulfonylchlorid

Benzenesulfonyl chloride, 2,4-dinitro-

HCID 74255CAS 1656-44-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N
Summenformel: C6H3ClN2O6S
Durchschnittliche Molmasse: 266,62 g/mol
Monoisotopische Masse: 265,9400345

Namen und Bezeichner

Bevorzugter Name: Benzenesulfonyl chloride, 2,4-dinitro-
IUPAC: 2,4-dinitrobenzenesulfonyl chloride
Lokaler Name: 2,4-Dinitrobenzolsulfonylchlorid
Englischer Name: 2,4-DINITROBENZENESULFONYL CHLORIDE
Summenformel: C6H3ClN2O6S
Molmasse: 266.62

Namen und Synonyme

2,4-Dinitrobenzenesulfonyl chloride1656-44-6Benzenesulfonyl chloride, 2,4-dinitro-EINECS 216-749-3DTXSID20618542,4-Dinitrobenzene sulfochlorideSSFSNKZUKDBPIT-UHFFFAOYSA-RefChem:118098DTXCID0035320InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3HSSFSNKZUKDBPIT-UHFFFAOYSA-N2,4-Dinitrobenzene-1-sulfonyl chloride

Weitere Namen anzeigen

2,4-DinitrobenzenesuL2,4-Dinitrobenzenesulfonylchl4-Dinitrobenzenesulfonyl chloride2,4-dinitro-benzenesulfonylchlorid1-(Chlorosulphonyl)-2,4-dinitrobenzene2,4-Dinitrobenzenesulfonyl chloride,98%

2,4-Dinitrobenzenesulphonyl chlorideC6H3ClN2O6SMFCD000074312,4-dinitrophenylsulfonyl chlorideBenzenesulfonylchloride, 2,4-dinitro-SCHEMBL17259SCHEMBL29430338(2,4-dinitrophenyl)chlorosulfone

Datenbank-Bezeichner

CAS: 1656-44-6
PubChem CID: 74255
DTXSID: DTXSID2061854
EC Number: 216-749-3
Nikkaji: J3.373A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 134 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 393

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-103 °C (lit.)
Siedepunkt: 60 · 60-80 °C
Dichte: 1.78 · 1.780
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Chloroform (Slightly)
Aggregatzustand: Solid
Farbe: Light Yellow Crystalline
Wasserlöslichkeit: Reacts with water.
BRN: 2147583 · 2147583
Stabilität: Hygroscopic
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
SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(Cl)(=O)=O
CAS Datenbank: 1656 · 1656-44-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzenesulfonyl chloride, 2,4-dinitro- (1656-44-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationBenzenesulfonyl chloride, 2,4-dinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

Sicherheitsdaten

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 2904990090
risk_code: 34-65-48/23/24/25-46-45-48/20/21/22
hazard_code: T,C
safety_code: 53-26-36/37/39-45-62
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenesulfonyl chloride, 2,4-dinitro-: ACTIVE

Anwendungen

Verwenden2,4-Dinitrobenzenesulfonyl chloride was used to protect primary amines. It was used as starting reagent in the synthesis of tert-butyl 2-[(2,4-dinitrophenyl) sulfonyl]amino acetate.