2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one

HCID 237010CAS 5381-99-7

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Grundinformationen

Standard-SMILES: O=C1OP(Cl)Oc2ccccc21
InChIKey: BVOITXUNGDUXRW-UHFFFAOYSA-N
Summenformel: C7H4ClO3P
Durchschnittliche Molmasse: 202,53 g/mol
Monoisotopische Masse: 201,9586587

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
IUPAC: 2-chloro-1,3,2-benzodioxaphosphinin-4-one
Englischer Name: 2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one
Summenformel: C7H4ClO3P
Molmasse: 202.53

Namen und Synonyme

2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-oneRefChem:469109629-555-25381-99-72-chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one2-chloro-1,3,2-benzodioxaphosphinin-4-oneC7H4ClO3PVan Boom's ReagentMFCD00013353NSC402092-chloro-4h-1,3,2-benzodioxaphosphinin-4-one4H-1,3,2-Benzodioxaphosphorin-4-one, 2-chloro-

Weitere Namen anzeigen

Salicyl Phosphorochloridite2-CHLORO-1,3,2-BENZODIOXAPHOSPHORIN-4-ONESalPClNSC 40209ChloroHbenzodioxaphosphorinoneSalicylchlorophosphite Van Boom's Reagent

2-chloro-2,4-dihydro-1,3,2-benzodioxaphosphinin-4-one2-chloro-4h-1,2,3-benzodioxaphosphorin-4-oneNSC-40209D893702-Chloro-1,3,2-benzodioxaphosphorin-4-one, 95%Salicylchlorophosphite2-Chloro-4H-1,2,3-benzodioxaphosphorin-4-one 90per cent2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one (90%)

Datenbank-Bezeichner

CAS: 5381-99-7
PubChem CID: 237010
DTXSID: DTXSID10285003
EC Number: 629-555-2
Nikkaji: J26.477F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 35,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 199

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-40 °C (lit.)
Siedepunkt: 127 · 127-128 °C/11 mmHg (lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in acetonitrile, dichloromethane, tetrahydrofuron and dimethylformamide.
Aggregatzustand: solid
Farbe: White or Colorless to Orange to Green
BRN: 1311951 · 1311951
Stabilität: Water Sensitive
InChI: InChI=1S/C7H4ClO3P/c8-12-10-6-4-2-1-3-5(6)7(9)11-12/h1-4H
InChIKey: BVOITXUNGDUXRW-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C(=O)OP1Cl
CAS Datenbank: 5381 · 5381-99-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

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

Sicherheitsdaten

F: 3-10
wgk: 3
ridadr: UN 3261 8/PG 1
hs_code: 29349990
risk_code: 14-34-37
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-43-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one is a reagent used in phosphorylation and phosphitylation of alcohols and in the formation of H-phosphonates. It is also reactive cyclic phosphitylating reagent involved in fast coupling rates and hydrolytic cleavage more readily compare to that of a acyclic analog.