4,4'-Dichlorbenzophenon
4,4'-Dichlorobenzophenone
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Grundinformationen
- CAS
90-98-2- Standard-SMILES
O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
OKISUZLXOYGIFP-UHFFFAOYSA-N- Summenformel
- C13H8Cl2O
- Durchschnittliche Molmasse
- 251,1 g/mol
- Monoisotopische Masse
- 249,99522024
Überblick
4-4-Dichlorobenzophenone is a member of benzophenones.
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Dichlorobenzophenone
- IUPAC
- bis(4-chlorophenyl)methanone
- Lokaler Name
- 4,4'-Dichlorbenzophenon
- Englischer Name
- 4,4'-Dichlorobenzophenone
- Summenformel
- C13H8Cl2O
- Molmasse
- 251.11
Namen und Synonyme
4,4'-Dichlorobenzophenone90-98-2Methanone, bis(4-chlorophenyl)-Benzophenone, 4,4'-dichloro-DTXSID30376263MTL0YC2Q5DTXCID1017626NSC-8787RefChem:96242202-030-1Bis(4-chlorophenyl)methanoneDCBP
Weitere Namen anzeigen
4'-DBPusafdo-44,4'-DBP4,4'-DCBPAKOS 941894,4'-DichLDCBP Standard4.4'-Dichlorob4,4'-Dichlorobenzoph
Bis(4-chlorophenyl) ketone4,4-DICHLOROBENZOPHENONEDi(p-chlorophenyl)ketoneUSAF DO-4MFCD00000623Di(4-chlorophenyl)ketoneBis(p-chlorophenyl)ketoneP,P'-DICHLOROBENZOPHENONE
Datenbank-Bezeichner
- CAS
90-98-2- PubChem CID
- 7034
- DTXSID
DTXSID3037626- ChEMBL
CHEMBL1870191- ChEBI
CHEBI:194706- UNII
- 3MTL0YC2Q5
- EC Number
- 202-030-1
- Nikkaji
- J39.679F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 214
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesPesticide degradation product
Physical DescriptionWhite or off-white crystalline powder; [Alfa Aesar MSDS]
Collision Cross Section148.55 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
Physikochemische Eigenschaften
- Schmelzpunkt
- 144 · 144-146 °C (lit.)
- Siedepunkt
- 353 °C · 353 °C (lit.)
- Dichte
- 1 · 1,45 g/cm3
- Brechungsindex
- 1.5555 · 1.5555 (estimate)
- Flammpunkt
- 352 · 352-354°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in hot acetone.
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- BRN
- 643345 · 643345
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
- InChIKey
- OKISUZLXOYGIFP-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O
- CAS Datenbank
- 90 · 90-98-2(CAS DataBase Reference)
- NIST chemische Informationen
- p-Dichlorobenzophenone(90-98-2)
- EPA chemische Informationen
- Methanone, bis(4-chlorophenyl)- (90-98-2)
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
Warning
H302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanone, bis(4-chlorophenyl)-
Methanone, bis(4-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (86.5%)
Toxikologische Informationen
RAIS Toxicity Values
0.009
SCREEN Current
0.09
PPRTV Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
4,4'-Dichlorobenzophenone
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Provisional Peer-Reviewed Toxicity Values
4,4\'-Dichlorobenzophenone
PDF Document
Inadequate information to assess carcinogenic potential
2009
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
5.70e+02
7.40e+03
7.80e+01
7.50e+01
4.70e-01
9.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.70e+03
2.20e+04
2.30e+02
7.50e+01
9.00e-03
Volatile
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147000
- RTECS-Nr.
- DJ0525000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationMethanone, bis(4-chlorophenyl)-: ACTIVE
Anwendungen
Verwenden4,4'-Dichlorobenzophenone is used as pharmaceutical intermediates. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs. Bisaminonitrile was polymerized with 4,4'-dichlorobenzophenone using NaH as base.
Darstellung
synthetische4,4'-Dichlorobenzophenone is prepared by the acylation of chlorobenzene with 4-chlorobenzoyl chloride. The conversion is typically conducted in the presence of an aluminium chloride catalyst in a petroleum ether solvent.ClC6H5C(O)Cl + C6H5Cl → (ClC6H4)2CO + HCl
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