2-Bromo-2'-acetonaphthone (HCID 69179)

名称と識別子

優先名称: 2-Bromo-2'-acetonaphthone
IUPAC: 2-bromo-1-naphthalen-2-ylethanone
現地名: 2-ブロモアセチルナフタレン
英語名: Bromomethyl 2-naphthyl ketone
分子式: C12H9BrO
分子量: 249.1

名称と別名

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)-

名称をさらに表示

2-ブロモアセチルナフタレン2-ブロモ-2'-アセトナフトンα-ブロモ-2'-アセトナフトン2-ブロモ-1-(ナフタレン-2-イル)エタン-1-オン1-(2-ナフチル)-2-ブロモエタノンブロモメチル2-ナフチルケトンω-ブロモアセト-β-ナフトン2-ブロモ-1-(2-ナフチル)エタノン2-(ブロモアセチル)ナフタレン2-(2-ブロモアセチル)ナフタレン2-ブロモ-1-(2-ナフチル)エタン-1-オン2-(ブロモアセチル)ナフタレン臭化物Α‐ブロモ‐2′‐アセトナフトン2-ブロモ-1-(2-ナフチル)-1-エタノン2-ブロモ-2′-アセトナフトンα-ブロモ-2′-アセトナフトン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%

データベース識別子

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

物性

構造計算による物性

XLogP: 4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 214

物理化学的性質

融点: 82 · 82-84 °C(lit.)
沸点: 349.8 · 349.8±15.0 °C(Predicted)
比重(密度): 1.4188 · 1.4188 (rough estimate)
屈折率: 1.513 · 1.5130 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: アセトニトリル：可溶
外見: 結晶性粉末
色: 紫褐色
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 データベース: 613 · 613-54-7(CAS DataBase Reference)

化学的性質

化学的特性purple-brownish crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全データ

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
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2-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.

一般的な説明2-Bromo-2′-acetonaphthone is used for derivatization of captopril to develop a fast and sensitive high-performance liquid chromatographic method for the determination of captopril in plasma.2-Bromo-2′-acetonaphthone converts tetra-acids extracted from calcium naphthenate deposits to 2-naphthacyl derivatives.