Brommethyl-2-naphthylketon

2-Bromo-2'-acetonaphthone

HCID 69179CAS 613-54-7

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Grundinformationen

Standard-SMILES: O=C(CBr)c1ccc2ccccc2c1
InChIKey: YHXHHGDUANVQHE-UHFFFAOYSA-N
Summenformel: C12H9BrO
Durchschnittliche Molmasse: 249,1 g/mol
Monoisotopische Masse: 247,98367701

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-2'-acetonaphthone
IUPAC: 2-bromo-1-naphthalen-2-ylethanone
Lokaler Name: Brommethyl-2-naphthylketon
Englischer Name: Bromomethyl 2-naphthyl ketone
Summenformel: C12H9BrO
Molmasse: 249.1

Namen und Synonyme

2-Bromo-2'-acetonaphthoneRefChem:570364613-54-7Bromomethyl 2-naphthyl ketone2-(BROMOACETYL)NAPHTHALENE2-Bromo-1-(Naphthalen-2-Yl)Ethan-1-One2-Bromo-1-(2-naphthyl)ethanone2-bromo-1-(naphthalen-2-yl)ethanone2-bromo-1-naphthalen-2-ylethanone2-BromoacetylnaphthaleneMFCD00004109Ethanone, 2-bromo-1-(2-naphthalenyl)-

Weitere Namen anzeigen

AKOS BBS-00004048TIMTEC-BB SBB000883SS-NAPHTHACYLBROMIDE2-Bromoacetonaphthaleneà-bromo-2-acetonaphthone2-BROMO-2-ACETONAPHTHONEω-Bromoaceto-β-naphthone2-BROMO-2’-ACETONAPTHONE

2-bromo-1-(2-naphthyl)-1-ethanone2-(2-bromoacetyl)naphthalene2-bromo-2'-acetonaphtonebromomethyl-2-naphthyl ketoneAI3-00186CHEMBL101423DTXSID702101992-Bromo-2'-acetonaphthone, 99%

Datenbank-Bezeichner

CAS: 613-54-7
PubChem CID: 69179
DTXSID: DTXSID70210199
ChEMBL: CHEMBL101423
EC Number: 210-348-7
Nikkaji: J95.597C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 214

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-84 °C(lit.)
Siedepunkt: 349.8 · 349.8±15.0 °C(Predicted)
Dichte: 1.4188 · 1.4188 (rough estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: acetonitrile: soluble
Aggregatzustand: Crystalline Powder
Farbe: Purple-brownish
BRN: 639153 · 639153
InChI: InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey: YHXHHGDUANVQHE-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C2C(=C1)C=CC=C2)CBr
CAS Datenbank: 613 · 613-54-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, 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 InformationEthanone, 2-bromo-1-(2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29147000
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-2′-acetonaphthone was used to determine the concentration of tetra-acids in calcium naphthenate deposits. 2-Bromo-2′-acetonaphthone was used as derivation reagent for determination of fatty acids extracted from Botryococcus braunii by HPLC.