ペンタフルオロフェニル酢酸

(Pentafluorophenyl)acetic acid

HCID 69553
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基本情報

CAS
653-21-4
標準SMILES
O=C(O)Cc1c(F)c(F)c(F)c(F)c1F
InChIKey
LGCODSNZJOVMHV-UHFFFAOYSA-N
分子式
C8H3F5O2
平均分子量
226.1 g/mol
単同位体質量
226.00532014

名称と識別子

優先名称
(Pentafluorophenyl)acetic acid
IUPAC
2-(2,3,4,5,6-pentafluorophenyl)acetic acid
現地名
ペンタフルオロフェニル酢酸
英語名
2,3,4,5,6-Pentafluorophenylacetic acid
分子式
C8H3F5O2
分子量
226.1

名称と別名

653-21-4(Pentafluorophenyl)acetic acidBenzeneacetic acid, 2,3,4,5,6-pentafluoro-F2HFR5VJK7EINECS 211-497-0DTXSID502156422,3,4,5,6-PENTAFLUOROBENZENEACETIC ACIDRefChem:406809DTXCID80138133211-497-0Pentafluorophenylacetic acid2,3,4,5,6-Pentafluorophenylacetic acid
名称をさらに表示
ペンタフルオロフェニル酢酸(ペンタフルオロフェニル)酢酸2,3,4,5,6-ペンタフルオロベンゼン酢酸2,3,4,5,6-ペンタフルオロフェニル酢酸2,3,4,5,6‐ペンタフルオロフェニル酢酸2,3,4,5,6-ペンタフルオロフェニル酢酸, 99%2-(2,3,4,5,6-ペンタフルオロフェニル)酢酸RARECHEM AL BO 0298pentaflurobenzalcoholBenzopyrene Impurity 10Pentafluorophenylaceticacid98%PentafluorophenylaceticAcid>Pentafluorophenylacetic acid 98%2,3,4,5,6-PENTAFLUORPHENYLACETIC ACID
2-(Perfluorophenyl)acetic acid2-(2,3,4,5,6-pentafluorophenyl)acetic acidMFCD00004316P1004EN300-23512O105352,3,4,5,6-Pentafluorophenylacetic acid, 99%Z152448270

データベース識別子

CAS
653-21-4
PubChem CID
69553
DTXSID
DTXSID50215642
UNII
F2HFR5VJK7
EC Number
211-497-0
Nikkaji
J205.937A

物性

構造計算による物性

XLogP
1.9
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
2
重原子数
15

物理化学的性質

融点
108 · 108-110 °C(lit.)
沸点
235.3 · 235.3±35.0 °C(Predicted)
比重(密度)
1.5096 · 1.5096 (estimate)
貯蔵温度
Store at room temperature
溶解性
95 % · 95% エタノール: 可溶50mg/mL、透明、無色～微黄色
酸解離定数(Pka)
3.3 · 3.30±0.10(Predicted)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 48 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk
3
hs_code
29163990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
hazard_class
IRRITANT

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2,3,4,5,6-Pentafluorophenylacetic acid has been used in the preparation of:2,3,4,5,6-pentafluorophenylacetyl chloride4-bromo-phenacyl-2,3,4,5,6-pentafluorophenyl acetate

一般的な説明FT-IR and FT-Raman spectra of 2,3,4,5,6-pentafluorophenylacetic acid has been studied.

上流・下流製品情報

サプライヤー61 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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