2-フルオロベンズアルデヒド
o-Fluorobenzaldehyde
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基本情報
- CAS
446-52-6- 標準SMILES
O=Cc1ccccc1F- InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N- 分子式
- C7H5FO
- 平均分子量
- 124.11 g/mol
- 単同位体質量
- 124.03244294
名称と識別子
- 優先名称
- o-Fluorobenzaldehyde
- IUPAC
- 2-fluorobenzaldehyde
- 現地名
- 2-フルオロベンズアルデヒド
- 英語名
- 2-Fluorobenzaldehyde
- 分子式
- C7H5FO
- 分子量
- 124.11
名称と別名
2-Fluorobenzaldehyde446-52-6o-FluorobenzaldehydeBenzaldehyde, 2-fluoro-Benzaldehyde, o-fluoro-EINECS 207-171-27ZX20DXB9ZNSC 66829BRN 0507155NSC-66829DTXSID80220304-07-00-00559 (Beilstein Handbook Reference)
名称をさらに表示
2-フルオロベンズアルデヒド2-フルオロベンズアルデヒド-o-フルオロベンズアルデヒド2‐フルオロベンズアルデヒド2-フルオロベンズアルデヒド, 97%Fluorobenzaldehyde1AKOS BBS-000031502-Fluorbenzaldehyd2-FLUOROBENZALDHYDE2-fluoro-benzaldehyd2-FluorobenzaldethydeLABOTEST-BB LT00941219
RefChem:855262Benzaldehyde, o-fluoro-(8CI)DTXCID102030207-171-2InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5ortho-FluorobenzaldehydeMFCD00003302fluorobenzaldehyde
データベース識別子
- CAS
446-52-6- PubChem CID
- 67970
- DTXSID
DTXSID8022030- ChEMBL
CHEMBL4084647- UNII
- 7ZX20DXB9Z
- EC Number
- 207-171-2
- Nikkaji
- J30.717C
物性
構造計算による物性補完中
- XLogP
- 1.8
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 103
実験および物理化学的性質
Kovats Retention Index941.5；947.3；931
物理化学的性質
- 融点
- 44.5 °C · −44.5 °C(lit.)
- 沸点
- 90 · 90-91 °C46 mm Hg(lit.)
- 比重(密度)
- 1.178 g/mL · 1.178 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.521(lit.)
- 闪点
- 131 °F · 131 °F
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 外見
- 液体
- 色
- 無色透明～淡褐色
- 比重
- 1.178 · 1.178
- 水溶解度
- 不溶性
- BRN
- 507155 · 507155
- InChI
- 1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H
- InChIKey
- ZWDVQMVZZYIAHO-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccccc1F
- CAS データベース
- 446 · 446-52-6(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Benzaldehyde, 2-fluoro-(446-52-6)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 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
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (98.1%)；STOT SE 3 (96.2%)
法規制情報
Regulatory Information2-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 10-23
化学と産業
応用分野
用途有機合成原料。
使用2-(2-Fluorobenzylidene)-2-hydroxybenzohydrazide was synthesized by the reaction of 2-hydroxybenzoylhydrazine with 2-fluorobenzaldehyde in ethanol. Synthesis of n-aryl indolines from 2-fluorobenzaldehyde dimethylhydrazone derivatives which is an approach to preparation of c(aryl)-n(amine) bond atropisomeric amines. The o-dialkylaminobenzaldehydes were conveniently prepared by nucleophilic displacement of the activated fluorine in 2-fluorobenzaldehyde with the required dialkylamine in hot dimethylformamide. N-(2-Fluorobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide methanol solvate in the reaction of quinolin-8-yloxyacetic acid hydrazide and 2-fluorobenzaldehyde.
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