p-Phenylbenzoylchlorid

4-Phenylbenzoyl chloride

HCID 84151CAS 14002-51-8

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Grundinformationen

Standard-SMILES: O=C(Cl)c1ccc(-c2ccccc2)cc1
InChIKey: JPVUWCPKMYXOKW-UHFFFAOYSA-N
Summenformel: C13H9ClO
Durchschnittliche Molmasse: 216,66 g/mol
Monoisotopische Masse: 216,03419259

Namen und Bezeichner

Bevorzugter Name: 4-Phenylbenzoyl chloride
IUPAC: 4-phenylbenzoyl chloride
Lokaler Name: p-Phenylbenzoylchlorid
Englischer Name: 4-Biphenylcarbonyl chloride
Summenformel: C13H9ClO
Molmasse: 216.66

Namen und Synonyme

4-Phenylbenzoyl chloride4-Biphenylcarbonyl chloridep-Phenylbenzoyl chloride[1,1'-Biphenyl]-4-carbonyl chloride(1,1'-Biphenyl)-4-carbonyl chlorideUNII-6QS928042DEINECS 237-804-86QS928042DDTXSID5065693JPVUWCPKMYXOKW-UHFFFAOYSA-Diphenyl-4-carboxylic acid chlorideBIPHENYLCARBONYLCHLORIDE, 4-

Weitere Namen anzeigen

Biphenyl-4-formyl Chloro4-PhenylbenzoylChloride>Biphenyl-4-formyl chlorideBisphenyl-4-carbonychlorideBiphenyl-4-carboxyl chlorideBiphenyl-4-carbonylchloride98%

RefChem:100363DTXCID6034550InChI=1/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9HJPVUWCPKMYXOKW-UHFFFAOYSA-N14002-51-8Biphenyl-4-carbonyl chlorideMFCD000006924-phenyl benzoyl chloride

Datenbank-Bezeichner

CAS: 14002-51-8
PubChem CID: 84151
DTXSID: DTXSID5065693
UNII: 6QS928042D
EC Number: 237-804-8
Nikkaji: J105.342F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical structure

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-112 °C (lit.)
Siedepunkt: 160 °C · 160 °C / 2mmHg
Dichte: 1.1459 · 1.1459 (rough estimate)
Brechungsindex: 1.526 · 1.5260 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Fine Crystalline Powder
Farbe: White to yellow
Wasserlöslichkeit: HYDROLYSIS
BRN: 472842 · 472842
InChI: 1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey: JPVUWCPKMYXOKW-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc(cc1)-c2ccccc2
CAS Datenbank: 14002 · 14002-51-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · [1,1'-Biphenyl]-4-carbonyl chloride (14002-51-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24575

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 21-10
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29163990
risk_code: 14-34
hazard_code: C
hazard_note: Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-36/37/39-43-45-25
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information[1,1'-Biphenyl]-4-carbonyl chloride: INACTIVE

Anwendungen · 1 Eintrag

VerwendenBiphenyl-4-carbonyl chloride was used in the preparation of a novel thiourea compound, N-(6-methyl pyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide. It was also used in the preparation of 5-CF3-oxazole analog, 2-{4-[2-(2-biphenyl-4-yl-5-trifluoromethyl-oxazol-4-yl)-ethoxy]-phenoxy}-2-methyl-propionic acid.