2-Methylbenzophenon

2-Methylbenzophenone

HCID 67230CAS 131-58-8

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Grundinformationen

Standard-SMILES: Cc1ccccc1C(=O)c1ccccc1
InChIKey: CKGKXGQVRVAKEA-UHFFFAOYSA-N
Summenformel: C14H12O
Durchschnittliche Molmasse: 196,24 g/mol
Monoisotopische Masse: 196,088815

Namen und Bezeichner

Bevorzugter Name: 2-Methylbenzophenone
IUPAC: (2-methylphenyl)-phenylmethanone
Lokaler Name: 2-Methylbenzophenon
Englischer Name: 2-Methylbenzophenone
Summenformel: C14H12O
Molmasse: 196.24

Namen und Synonyme

2-Methylbenzophenone131-58-8Methanone, (2-methylphenyl)phenyl-o-MethylbenzophenonePhenyl o-tolyl ketoneBenzophenone, 2-methyl-Phenyl 2-tolyl ketone(2-Methylphenyl)phenylmethanone2-methylphenyl phenyl ketoneLSN1480NFFOrphenadrine Impurity BEINECS 205-032-0

Weitere Namen anzeigen

phenyl(o-tolyl)MethanonePhenyl tolyl ketone(2-Methylphenyl)phenyl-methanoneHRcure-2MBPo-Benzoyltoluene2-Benzoyltoluene2-Methyl benzophnone

NSC 67362NSC-67362O-TOLYL PHENYL KETONEAI3-11216DTXSID5059618PHENYL(2-TOLYL)METHANONE(PHENYL)(O-TOLYL)METHANONEPHENYL 2-METHYLPHENYL KETONE

Datenbank-Bezeichner

CAS: 131-58-8
PubChem CID: 67230
DTXSID: DTXSID5059618
UNII: LSN1480NFF
EC Number: 205-032-0
Nikkaji: J5.563H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 215

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -18 °C · -18 °C
Siedepunkt: 125 · 125-127 °C/0.3 mmHg (lit.)
Dichte: 1.083 g/mL · 1.083 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5958(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
Wasserlöslichkeit: Insoluble in water.
Merck: 14 · 14,7317
BRN: 2045469 · 2045469
InChI: 1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey: CKGKXGQVRVAKEA-UHFFFAOYSA-N
SMILES: Cc1ccccc1C(=O)c2ccccc2
CAS Datenbank: 131 · 131-58-8(CAS DataBase Reference)
NIST chemische Informationen: Methanone, (2-methylphenyl)phenyl-(131-58-8)
EPA chemische Informationen: Methanone, (2-methylphenyl)phenyl- (131-58-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 510 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Methanone, (2-methylphenyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (2-methylphenyl)phenyl- 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)

Methanone, (2-methylphenyl)phenyl-: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (86.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29143990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36-26
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2021: 2,204 lb

General Manufacturing InformationMethanone, (2-methylphenyl)phenyl-: ACTIVE

Anwendungen

Verwenden2-Methylbenzophenone, is used as an important raw material and intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.