2-Brompropiophenon

2-Bromopropiophenone

HCID 16452CAS 2114-00-3

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Grundinformationen

Standard-SMILES: CC(Br)C(=O)c1ccccc1
InChIKey: WPDWOCRJBPXJFM-UHFFFAOYSA-N
Summenformel: C9H9BrO
Durchschnittliche Molmasse: 213,07 g/mol
Monoisotopische Masse: 211,98367701

Namen und Bezeichner

Bevorzugter Name: 2-Bromopropiophenone
IUPAC: 2-bromo-1-phenylpropan-1-one
Lokaler Name: 2-Brompropiophenon
Englischer Name: 2-Bromopropiophenone
Summenformel: C9H9BrO
Molmasse: 213.07

Namen und Synonyme

2-Bromopropiophenonealpha-Bromopropiophenone1-Propanone, 2-bromo-1-phenyl-alpha-Methylphenacyl bromide.alpha.-BromopropiophenoneEINECS 218-307-5BRN 0508550alpha-Bromoethyl phenyl ketone.alpha.-Methylphenacyl bromide.alpha.-Bromoethyl phenyl ketoneDTXSID108709384-07-00-00684 (Beilstein Handbook Reference)

Weitere Namen anzeigen

tl336TL 336NSC 89689WLN: EY1&VRBROMPROPIOPHENONEBromophenylacetone-BromopropiophenoneB-Bromopropiophenone

RefChem:85901DTXCID90818616218-307-5WPDWOCRJBPXJFM-UHFFFAOYSA-N2114-00-32-bromo-1-phenylpropan-1-one1-Benzoyl-1-bromoethane2-Bromo-1-phenyl-1-propanone

Datenbank-Bezeichner

CAS: 2114-00-3
PubChem CID: 16452
DTXSID: DTXSID10870938
UNII: 75SCT47BB6
EC Number: 218-307-5
Nikkaji: J31.122G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 245 · 245-250 °C (lit.)
Dichte: 1.4 g/mL · 1.4 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.571(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol
Aggregatzustand: Oil
Wichte: 1.4 · 1.4
Farbe: Clear Pale Yellow to Green
Wasserlöslichkeit: Insoluble
BRN: 508550 · 508550
Stabilität: Light Sensitive
LogP: 2.54 · 2.540 (est)
CAS Datenbank: 2114 · 2114-00-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanone, 2-bromo-1-phenyl-(2114-00-3)
EPA chemische Informationen: 1 · 1-Propanone, 2-bromo-1-phenyl- (2114-00-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Bromopropiophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (89.1%)

Sicherheitsdaten

F: 19
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 2
hs_code: 29147090
RTECS-Nr.: UG8400000
risk_code: 36/37/38-22
Toxizität: mouse,LCLo,inhalation,1600mg/m3/10M (1600mg/m3),National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942,
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
hazard_class: 6.1
packing_group: Ⅲ

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanone, 2-bromo-1-phenyl-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Bromopropiophenone (α-Bromopropiophenone) may be used for the synthesis of 2-phenylmorpholinols. It may also be used in the synthesis of N-phenacylammonium salts [N-(α-benzoylbenzyl)-, N-(1-benzoylethyl)-, N-phenacyl-, pyrazinium, 3-bromoquinolinium, benzothiazolium, or p-cyanopyridinium hexafluoroantimonates].