2-ブロモ-1-[4-(ジフルオロメトキシ)フェニル]エタン-1-オン

2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one

HCID 703496

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 141134-24-9
標準SMILES: O=C(CBr)c1ccc(OC(F)F)cc1
InChIKey: JMUKUVDYZQDUSP-UHFFFAOYSA-N
分子式: C9H7BrF2O2
平均分子量: 265.05 g/mol
単同位体質量: 263.95975

名称と識別子

優先名称: 2-Bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-one
IUPAC: 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
現地名: 2-ブロモ-1-[4-(ジフルオロメトキシ)フェニル]エタン-1-オン
英語名: 4-(Difluoromethoxy)phenacyl bromide
分子式: C9H7BrF2O2
分子量: 265.05

名称と別名

141134-24-92-bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-oneDTXSID603515602-bromo-1-(4-(difluoromethoxy)phenyl)ethan-1-oneRefChem:256820DTXCID90302626670-823-32-Bromo-1-(4-(difluoromethoxy)phenyl)ethanone4-(difluoromethoxy)phenacyl bromide2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone2-Bromo-4'-(difluoromethoxy)acetophenoneMFCD00052200

名称をさらに表示

2-ブロモ-1-[4-(ジフルオロメトキシ)フェニル]エタン-1-オン2‐ブロモ‐1‐[4‐(ジフルオロメトキシ)フェニル]エタン‐1‐オン2-ブロモ-4'-(ジフルオロメトキシ)アセトフェノン4-(Difluoromethoxy)phenacylbromide98%4-(Difluoromethoxy)phenacyl bromide 98%2-Bromo-4\'-(difluoromethoxy)acetophenone1-(4-difluoromethoxyphenyl)-2-bromoethan-1-oneEthanone, 2-bromo-1-[4-(difluoromethoxy)phenyl]-2-Bromo-1-[4-(difluoromethoxy)phenyl]ethan-1-one,97%

Ethanone,2-bromo-1-[4-(difluoromethoxy)phenyl]-SCHEMBL18563024-difluoromethoxyphenacyl bromide4-difluoromethoxylphenacyl bromideYQF1424SBB1028722-bromo-4'-difluoromethoxyacetophenoneAKOS001116769

データベース識別子

CAS: 141134-24-9
PubChem CID: 703496
DTXSID: DTXSID60351560
EC Number: 670-823-3
Nikkaji: J1.806.741B

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 191

物理化学的性質

融点: 66 · 66-68°C
沸点: 301.9 · 301.9±37.0 °C(Predicted)
比重(密度): 1.564 · 1.564±0.06 g/cm3(Predicted)
外見: crystals
色: Clear to white, tiny
InChI: 1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2
InChIKey: JMUKUVDYZQDUSP-UHFFFAOYSA-N
SMILES: FC(F)Oc1ccc(cc1)C(=O)CBr
CAS データベース: 141134 · 141134-24-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (75%)