Phenylsulfonylisocyanat

Phenylsulphonyl isocyanate

HCID 76096CAS 2845-62-7

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Grundinformationen

Standard-SMILES: O=C=NS(=O)(=O)c1ccccc1
InChIKey: UJYAZVSPFMJCLW-UHFFFAOYSA-N
Summenformel: C7H5NO3S
Durchschnittliche Molmasse: 183,19 g/mol
Monoisotopische Masse: 182,99901402

Namen und Bezeichner

Bevorzugter Name: Phenylsulphonyl isocyanate
IUPAC: N-(oxomethylidene)benzenesulfonamide
Lokaler Name: Phenylsulfonylisocyanat
Englischer Name: BENZENESULFONYL ISOCYANATE
Summenformel: C7H5NO3S
Molmasse: 183.18

Namen und Synonyme

Phenylsulphonyl isocyanateEINECS 220-640-6DTXSID50182648RefChem:861831DTXCID90105139220-640-6Benzenesulfonyl isocyanate2845-62-7phenylsulfonylisocyanateBenzenesulfonylisocyanateN-(oxomethylidene)benzenesulfonamidebenzenesulphonylisocyanate

Weitere Namen anzeigen

IsocyanatosulfonylbenzenePhenylsulfonyl isocyanate.BENZENESULPHONYL ISOCYANATE(Isocyanatosulfonyl)benzeneBenzenesulfonyl isocyanate,95%Benzenesulfonyl isocyanate 95%Benzenesulfonyl Isocyanate >Benzenesulfonyl isocyanate, 98+%

phenyl sulfonyl isocyanateMFCD00007546benzene sulphonyl isocyanateSCHEMBL7211Benzenesulfonyl isocyanate, 95%AKOS005206912Benzene sulfonyl isocyanatePhenyl sulphonyl isocyanate

Datenbank-Bezeichner

CAS: 2845-62-7
PubChem CID: 76096
DTXSID: DTXSID50182648
EC Number: 220-640-6
Nikkaji: J236.285F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 72 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 278

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 130 °C9 · 130 °C9 mm Hg(lit.)
Dichte: 1.369 g/mL · 1.369 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.536(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 2 O, · sol chlorinated, aromatic, and ethereal solvents; reacts violently with H2O, basic and protic solvents.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 743441 · 743441
InChI: 1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
InChIKey: UJYAZVSPFMJCLW-UHFFFAOYSA-N
SMILES: O=C=NS(=O)(=O)c1ccccc1
CAS Datenbank: 2845 · 2845-62-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
ridadr: UN 2922 8/PG 1
hs_code: 29291000
risk_code: 20/22-36/38-42
hazard_code: Xn
safety_code: 23-26-36
hazard_class: 6.1
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBenzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples.