o-Fluorobenzaldehyde (HCID 67970)

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

XLogP: 1.8
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: 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)

化学的性質

化学的特性clear colorless to light brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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
wgk: 3
rtecs: CU6140000
ridadr: UN 1989 3/PG 3
hs_code: 29130000
risk_code: 10-36/37/38-22
消防法: 危-4-2-III
hazard_code: Xi,F,Xn
hazard_note: Flammable
safety_code: 16-26-36-37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Irrit. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

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.

上流・下流製品情報

下流製品

3-(2-フルオロフェニル)プロピオン酸 2-[4-(TERT-BUTYL)PHENOXY]-5-NITROBENZALDEHYDE 1-BOC-4-(2-ホルミルフェニル)ピペラジン 2-(4-ベンジルピペラジノ)ベンゼンカルブアルデヒド 2-フルオロフェニルグリシン 1-(2-フルオロフェニル)プロパン-2-オン 2-(2-フルオロフェニル)エチルアミン 2-(メチルチオ)ベンズアルデヒド 2-フルオロスチレンベンゾ[c]アクリジン 2-フルオロ-DL-フェニルアラニン (E)-3-(2-フルオロフェニル)プロペン酸

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2-フルオロベンズアルデヒド

基本情報