1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone

HCID 94617
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Grundinformationen

CAS
66346-01-8
Standard-SMILES
CC(C)(C)C(=O)CCc1ccc(Cl)cc1
InChIKey
ILQGIJDYSLHIOX-UHFFFAOYSA-N
Summenformel
C13H17ClO
Durchschnittliche Molmasse
224,72 g/mol
Monoisotopische Masse
224,09679284

Namen und Bezeichner

Bevorzugter Name
1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
IUPAC
1-(4-chlorophenyl)-4,4-dimethylpentan-3-one
Englischer Name
1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
Summenformel
C13H17ClO
Molmasse
224.73

Namen und Synonyme

1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-83-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-oneDTXSID7028300UNII-E3F88HO81QE3F88HO81QDTXCID408300RefChem:74460613-923-41-(4-chlorophenyl)-4,4-dimethylpentan-3-one1-(4-Chloro-phenyl)-4,4-dimethyl-pentan-3-one
Weitere Namen anzeigen
Pentazolol pentane1-(4-Chlorophenyl)-44-diMethyl-3-pentanonetebuconazole impurity 11-(4-chlorphenyl)-4,4-dimethylpentan-3-on1-(4-chlorophenyl)-4,4-dimethyl-3-pentanon
MFCD002707714-Chlorobenzylpinacolonehwg1608-alkylketon4,4-Dimethyl-1-(p-chlorophenyl)-3-pentanoneSCHEMBL454778CHEMBL31838101-(4-Chlorophenyl)-4,4-dimethyTox21_301988

Datenbank-Bezeichner

CAS
66346-01-8
PubChem CID
94617
DTXSID
DTXSID7028300
ChEMBL
CHEMBL3183810
UNII
E3F88HO81Q
EC Number
613-923-4
Nikkaji
J467.936I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
15

Physikochemische Eigenschaften

Siedepunkt
297.4 · 297.4±15.0 °C(Predicted)
Dichte
1.05 · 1.050±0.06 g/cm3(Predicted)
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Oil
Farbe
Colourless
Henry's Law Constant
1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (56.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (56.9%)

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is a versatile organic compound. It is used both as a solvent and in the manufacture of certain insecticides and herbicides. It is also used in biological research, and there are current reports on its ability to inhibit the growth of specific bacteria, fungi and viruses, as well as to reduce the toxicity of specific drugs. It is also considered an antioxidant, neutralising reactive oxygen species and reducing oxidative stress.

Anbieter100 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
山东瑞博恩新材料科技有限公司15064961989 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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