Grundinformationen
- Standard-SMILES
O=C(Cl)Cc1ccccc1- InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N- Summenformel
- C8H7ClO
- Durchschnittliche Molmasse
- 154,59 g/mol
- Monoisotopische Masse
- 154,01854252
Überblick
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Namen und Bezeichner
- Bevorzugter Name
- Phenylacetyl chloride
- IUPAC
- 2-phenylacetyl chloride
- Lokaler Name
- Phenylacetylchlorid
- Englischer Name
- Phenylacetyl chloride
- Summenformel
- C8H7ClO
- Molmasse
- 154.59
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
103-80-0- PubChem CID
- 7679
- DTXSID
DTXSID6059281- UNII
- T30899DRND
- EC Number
- 203-146-5
- Nikkaji
- J5.021K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
Physical Description
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Colorless liquid with a strong odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 264 · 264-266 °C(Solv: N,N-dimethylformamide (68-12-2))
- Siedepunkt
- 94 · 94-95 °C/12 mmHg (lit.)
- Dichte
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5325(lit.)
- Flammpunkt
- 217 °F · 217 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Miscible with alcohol and ether.
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- BRN
- 742254 · 742254
- Stabilität
- Stable. Reacts with water. Incompatible with amines, most common metals, moisture, strong oxidizing agents.
- InChI
- 1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- VMZCDNSFRSVYKQ-UHFFFAOYSA-N
- SMILES
- ClC(=O)Cc1ccccc1
- LogP
- 1.628 · 1.628 (est)
- CAS Datenbank
- 103 · 103-80-0(CAS DataBase Reference)
- NIST chemische Informationen
- Benzeneacetyl chloride(103-80-0)
- EPA chemische Informationen
- Benzeneacetyl chloride (103-80-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzeneacetyl chloride
Status: Active Update: 05-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20430
Phenylacetyl chloride: 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.)
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Fumes in air; Decomposed by water evolving hydrogen chloride gas; May cause severe skin, eye, and mucous membrane irritation; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Acetyl chloride.
Reactivity Profile
PHENYLACETYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Phenylacetyl chloride
UN2577
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Sicherheit und Schutzausrüstung
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Toxikologische Informationen
Sicherheitsdaten
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2577
- hs_code
- 29163900
- risk_code
- 34-37-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-25-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenPhenylacetyl chloride is used in the preparation of 1,2-diphenyl-ethanone by reaction with iodobenzene using tetrabutylammonium tetrafluoroborate as a phase transfer catalyst. It is widely used in the chemical industry for manufacturing dyes and pharmaceutical products. It plays an important role in the preparation of penicillin. Further, it is used to prepare esters for flavorings.
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