Phenylchlorformiat
Phenyl chloroformate
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Grundinformationen
- CAS
1885-14-9- Standard-SMILES
O=C(Cl)Oc1ccccc1- InChIKey
AHWALFGBDFAJAI-UHFFFAOYSA-N- Summenformel
- C7H5ClO2
- Durchschnittliche Molmasse
- 156,56 g/mol
- Monoisotopische Masse
- 155,9978071
Überblick
Phenyl chloroformate appears as a colorless liquid with a strong odor. Toxic by ingestion, inhalation and skin absorption. Very irritating to skin and eyes. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- Phenyl chloroformate
- IUPAC
- phenyl carbonochloridate
- Lokaler Name
- Phenylchlorformiat
- Englischer Name
- Phenyl chloroformate
- Summenformel
- C7H5ClO2
- Molmasse
- 156.57
Namen und Synonyme
PHENYL CHLOROFORMATE1885-14-9phenyl carbonochloridatePhenyl chlorocarbonateChloroformic acid phenyl esterCarbonochloridic acid, phenyl esterPhenoxycarbonyl chlorideFormic acid, chloro-, phenyl esterPHENYLCHLOROFORMATEFenylester kyseliny chlormravenciTL 398DTXSID9044403
Weitere Namen anzeigen
CARBONOCHLORIDIC ACIDchlorocarbonic acidPHENYL CHLOROFORMATPhenyl choroformatePHENYL CHLOROFORMATE / CHLOROFORMIC ACID PHENYL ESTERtl398
phenyloxycarbonyl chloride6TND0D6D3YPHENYLCHLOROFORMIC ACIDNSC-210946DTXCID7024403RefChem:172952217-547-8Carbonochloridic acid phenyl ester
Datenbank-Bezeichner
- CAS
1885-14-9- PubChem CID
- 15891
- DTXSID
DTXSID9044403
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 2nd degree
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density
Density (at 20 °C): 1.2 g/cm³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
1.244 @25 °C
SolubilitySolubility in water: reaction
Flash Point69 °C c.c.
Boiling Point188-189 °C
Melting Point-28 °C
Vapor DensityRelative vapor density (air = 1): 5.41
Vapor Pressure
0.67 [mmHg]
Vapor pressure, Pa at 20 °C: 90
63.074 [mm Hg] @20 °C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H290 (60.1%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Carbonochloridic acid, phenyl ester
REACH registered substance: Phenyl chloroformate (EC: 217-547-8)
Phenyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelPoison Corrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 69 °C explosive vapour/air mixtures may be formed.
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationCarbonochloridic acid, phenyl ester: ACTIVE
Anwendungen
VerwendenPhenyl chloroformate is used in the synthesis of poly(2-(phenoxycarbonyloxy)ethyl methacrylate) and phenyl-(4-vinylphenyl) carbonate. It acts as a precursor of phenyl mixed anhydrides which are used in peptide coupling reactions. It serves as a dehydrating reagent for the conversion of primary amides to nitriles and an intermediate in the synthesis of pharmaceuticals and carbamates.
Darstellung
synthetischePhenyl chloroformate is synthesized by the reaction of phenol with phosgene. Phenol was dissolved in chloroform, phosgene was introduced under cooling, and the absorbed phosgene was in an equal molar ratio to phenol, and equimolar N,N-dimethylaniline was added dropwise under stirring at 5-10 °C. Then add cold water to dilute, separate the oil layer, wash with dilute hydrochloric acid and water successively. After drying with anhydrous calcium chloride, chloroform is evaporated, and then distilled under reduced pressure to collect 74-75°C (1.73kPa) fraction, which is phenyl chloroformate. The yield is about 90%.
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