2,6-ジフルオロベンズアルデヒド

2,6-Difluorobenzaldehyde

HCID 136284CAS 437-81-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=Cc1c(F)cccc1F
InChIKey
SOWRUJSGHKNOKN-UHFFFAOYSA-N
分子式
C7H4F2O
平均分子量
142.1 g/mol
単同位体質量
142.02302107

名称と識別子

優先名称
2,6-Difluorobenzaldehyde
IUPAC
2,6-difluorobenzaldehyde
現地名
2,6-ジフルオロベンズアルデヒド
英語名
2,6-Difluorobenzaldehyde
分子式
C7H4F2O
分子量
142.1

名称と別名

2,6-Difluorobenzaldehyde437-81-0DTXSID40195909RefChem:83227DTXCID30118400610-142-0SOWRUJSGHKNOKN-UHFFFAOYSA-N2,6-difluoro benzaldehydeMFCD00010293Benzaldehyde, 2,6-difluoro-2,6-dfad2,6-DIFLUOROBENZALEDEHYDE
名称をさらに表示
2,6-ジフルオロベンズアルデヒド2，6ジフルオロベンズアルデヒド2,6‐ジフルオロベンズアルデヒドTIMTEC-BB SBB0066852,6-Difluorobenzalde2-6-Difluorbenzaldehyd2,6-fluorobenzaldehyde2,6-DIFLUORLOBENZALDEHYDE2,12-Difluoroacetophenone2,6-Difluorobenzaldehyde98%2,6-Difluorobenzaldehyde>
2,6-difluorbenzaldehyde2,6 difluorobenzaldehyde2.6-difluorobenzaldehydeKZG3V2A6HW2, 6-difluorobenzaldehyde2,6-difluoro-benzaldehyde2,6-difluorobenzenaldehyde2,6-difluoro -benzaldehyde

データベース識別子

CAS
437-81-0
PubChem CID
136284
DTXSID
DTXSID40195909
UNII
KZG3V2A6HW
EC Number
610-142-0
Nikkaji
J796.629F

物性

構造計算による物性

XLogP
1.6
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
3
回転可能結合数
1
重原子数
10

物理化学的性質

融点
15 · 15-17 °C (lit.)
沸点
82 · 82-84 °C/15 mmHg (lit.)
比重(密度)
1.317 g/mL · 1.317 g/mL at 25 °C (lit.)
蒸気圧
40.1 · 40.1-900hPa at 94.5-189℃
屈折率
20 · n20/D 1.502(lit.)
闪点
164 °F · 164 °F

化学的性質

化学的特性clear light yellow to bright yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 52 reports by companies from 10 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 Information · 2 件

Chemical: Benzaldehyde, 2,6-difluoro-

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390

Hazard Classes and CategoriesSkin Irrit. 2 (94.2%)；Eye Irrit. 2A (94.2%)；STOT SE 3 (92.3%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzaldehyde, 2,6-difluoro-

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33390

安全データ

F
10-23
wgk
2
hs_code
29130000
risk_code
36/37/38
化審法
新規公示化学物質（2011年3月31日以前届出）
消防法
危-4-3-III

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2,6-Difluorobenzaldehyde can be used as a reactant to synthesize: 5-Cyano-6-(2,6-difluorophenyl)-5,6-dihydro-2-thiouracil via one-pot cyclocondensation reaction with ethyl cyanoacetate and thiourea. 1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole by reacting with 1,2-phenylenediamine in the presence of a catalytic amount of p-toluenesulfonic acid.(3E)-4-(2,6-Difluorophenyl)-3-buten-2-one by Wittig olefination reaction with acetylmethylidenetriphenyl phosphorane.Methyl 4-fluorobenzo[b]thiophene-2-carboxylate by treating with methyl thioglycolate in the presence of K2CO3.

上流・下流製品情報

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