Phenyldichlorphosphat

Phosphorodichloridic acid, phenyl ester

HCID 13038CAS 770-12-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=P(Cl)(Cl)Oc1ccccc1
InChIKey
TXFOLHZMICYNRM-UHFFFAOYSA-N
Summenformel
C6H5Cl2O2P
Durchschnittliche Molmasse
210,98 g/mol
Monoisotopische Masse
209,94042139

Überblick

Monophenyl dichlorophosphate appears as a liquid. May severely irritate skin, eyes and mucous membranes.

Namen und Bezeichner

Bevorzugter Name
Phosphorodichloridic acid, phenyl ester
IUPAC
dichlorophosphoryloxybenzene
Lokaler Name
Phenyldichlorphosphat
Englischer Name
Phenyl dichlorophosphate
Summenformel
C6H5Cl2O2P
Molmasse
210.98

Namen und Synonyme

PHENYL DICHLOROPHOSPHATE770-12-7Phenyl phosphorodichloridatePhosphorodichloridic acid, phenyl esterDichlorophenoxyphosphine oxidePhenylphosphoric dichloridePhenoxydichlorophosphine oxidePhenyl phosphorodichlorodatePhenoxyphosphoryl dichloridePhosphoroyl dichloride phenyl esterPCDPAE85WW9S5Z
Weitere Namen anzeigen
O-phenyl phosphorodichloridateMPCPorophosphatePhenyl dichlorophospPicaridin Impurity 7Phenyl dichlorophosphatDichlorophenylphosphate
Phosphorodichloridic acid phenyl esterDichlorophenoxyphosphineNSC-44412DTXSID6044987RefChem:861583DTXCID4024987212-220-6dichlorophosphoryloxybenzene

Datenbank-Bezeichner

CAS
770-12-7
PubChem CID
13038
DTXSID
DTXSID6044987
UNII
AE85WW9S5Z
EC Number
212-220-6
Nikkaji
J32.905C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesBoiling point
Physical Description · 2 Einträge

Monophenyl dichlorophosphate appears as a liquid. May severely irritate skin, eyes and mucous membranes.

Liquid; [Merck Index] Colorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-1 °C · -1 °C
Siedepunkt
241 · 241-243 °C (lit.)
Dichte
1.412 g/mL · 1.412 g/mL at 25 °C (lit.)
Dampfdruck
2.33 Pa · 2.33Pa at 25℃
Brechungsindex
20 · n20/D 1.523(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Phosphorodichloridic acid, phenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorodichloridic acid, phenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 27-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20440

Phenyl dichlorophosphate: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1 Eintrag

May cause severe skin, eye, and mucous membrane irritation; [CAMEO] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; Highly toxic by skin absorption; Dermal LD50 (guinea pig) = 14-400 mg/kg; [Alfa Aesar MSDS] See Dimethyl phosphorochloridothioate, Diethylthiophosphoryl chloride, and Diethyl chlorophosphate.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
10
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29209085
RTECS-Nr.
TD4393000

Chemie und Industrie

Verwendung und Herstellung

UsesUsed in studies of decarbamylation of carbamylated acetylcholinesterase. [ChemIDplus] Used in organic syntheses; [Merck Index]
U.S. Production2023: <50,000 lb
General Manufacturing InformationPhosphorodichloridic acid, phenyl ester: ACTIVE

Anwendungen

VerwendenIn organic synthesis for preparation of lactams, phosphate diesters and for oxidation reactions.

Darstellung · 1 Eintrag

synthetischeThe preparation of Phenyl dichlorophosphate is as follows:160 g (1 mol) of phosphorus oxychloride and 1 g of titanium tetrachloride were respectively added to a four-necked flask to carry out the reaction, and the temperature was raised to 70-80° C., and phenol (94 g, 1 mol) was slowly added dropwise. The phenol addition time was about 2- 3 hours,After completion of the dropwise addition, the reaction is maintained at 80-90° C. for 3-5 hours. After no hydrogen chloride is evolved, the reaction is completed. After the reaction, the phosphorus oxychloride is distilled under reduced pressure, the vacuum degree is 30-100 KPa, and the distillation temperature is 30-100° C. Distillation under reduced pressure to obtain the intermediate of the mixture, a mono-substituted and di-substituted mixture of phosphorus oxychloride, the ratio of the mixture is 5:5, gas phase analysis to obtain the intermediate of the mixture, the yield of the intermediate is 95%, phosphorus oxychloride The recovery rate is 95% (calculated as phosphorus oxychloride).

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