4-Nitrophenyldichlorphosphonat

Phosphorodichloridic acid, 4-nitrophenyl ester

HCID 69898CAS 777-52-6

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)cc1
InChIKey: NCPBESHYZRJICR-UHFFFAOYSA-N
Summenformel: C6H4Cl2NO4P
Durchschnittliche Molmasse: 255,98 g/mol
Monoisotopische Masse: 254,9255

Namen und Bezeichner

Bevorzugter Name: Phosphorodichloridic acid, 4-nitrophenyl ester
IUPAC: 1-dichlorophosphoryloxy-4-nitrobenzene
Lokaler Name: 4-Nitrophenyldichlorphosphonat
Englischer Name: 4-Nitrophenyl phosphorodichloridate
Summenformel: C6H4Cl2NO4P
Molmasse: 255.98

Namen und Synonyme

4-Nitrophenyl phosphorodichloridate777-52-6Phosphorodichloridic acid, 4-nitrophenyl esterp-Nitrophenyl phosphorodichloridateEINECS 212-289-2DTXSID80611314-Nitrophenylphosponic dichlorideRefChem:173862DTXCID2047987NCPBESHYZRJICR-UHFFFAOYSA-NC6H4Cl2NO4P1-dichlorophosphoryloxy-4-nitrobenzene

Weitere Namen anzeigen

phosphorodichLp-Nitrophenyl dichlorophosphate4-nitrophenyl dichlorophosphonate4-Nitrophenylphosphonicdichloride4-Nitrophenyl phosphoryldichlorideDichloridophosphoric Acid P-Nitrop4-Nitrophenylphosphorodichloridate,97%

4-Nitrophenyl dichlorophosphateMFCD000073151-dichlorophosphoryloxy-4-nitro-benzenePhosphorodichloridic acid, p-nitrophenyl esterSCHEMBL8514314-O2NC6H4OP(O)Cl242G6E3UCT84-Nitrophenyl dichloridophosphate #

Datenbank-Bezeichner

CAS: 777-52-6
PubChem CID: 69898
DTXSID: DTXSID8061131
UNII: 42G6E3UCT8
EC Number: 212-289-2
Nikkaji: J102C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 255

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-45 °C (lit.)
Siedepunkt: 182 · 182-183 °C/13 mmHg (lit.)
Dichte: 1.644 · 1.644
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly)
Aggregatzustand: solid
BRN: 1468239 · 1468239
Stabilität: Hygroscopic, Moisture Sensitive
InChI: InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey: NCPBESHYZRJICR-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(OC1=CC=C([N+]([O-])=O)C=C1)=O
EPA chemische Informationen: 4 · Phosphorodichloridic acid, 4-nitrophenyl ester (777-52-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Regulatory InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (97.4%)

Regulatorische Informationen

Regulatory InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard