3-(トリフルオロメチル)ピラゾール-4-カルボン酸エチル

Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate

HCID 596095CAS 155377-19-8
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)c1cn[nH]c1C(F)(F)F
InChIKey
VYXIHSAEOXPAEY-UHFFFAOYSA-N
分子式
C7H7F3N2O2
平均分子量
208.14 g/mol
単同位体質量
208.04596196

名称と識別子

優先名称
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate
IUPAC
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
現地名
3-(トリフルオロメチル)ピラゾール-4-カルボン酸エチル
英語名
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
分子式
C7H7F3N2O2
分子量
208.14

名称と別名

155377-19-8Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylateDTXSID10344346RefChem:594775DTXCID70295421628-404-8Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylateethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylateMFCD000520831H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, ethyl esterethyl 3-trifluoromethylpyrazole-4-carboxylateethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate
名称をさらに表示
3-(トリフルオロメチル)ピラゾール-4-カルボン酸エチル3-(トリフルオロメチル)-1H-ピラゾール-4-カルボン酸エチル3-トリフルオロメチル-1H-ピラゾール-4-カルボン酸エチル3-トリフルオロメチル-1H-ピラゾール-4-カルボン酸エチル, 97%5-(トリフルオロメチル)-1H-ピラゾール-4-カルボン酸エチルエチル 3-(トリフルオロメチル)-1H-ピラゾール-4-カルボキシラートエチル 5-(トリフルオロメチル)-1H-ピラゾール-4-カルボキシラートBUTTPARK 29\06-81Ethyl 3-(trifluoromethyl)pyrazole-4-cETHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-Ethyl3-(trifluoromethyl)pyrazole-4-carboxylate97%Ethyl3-(Trifluoromethyl)pyrazole-4-carboxylate>Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate 97%Ethyl 3-(trifluoromethyl)-2H-pyrazole-4-carboxylateEthyl3-trifluoromethyl-1H-pyrazole-4-carboxylate,97%
SCHEMBL692293-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl esterTD8156FS-11673-(Trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl esterSMR000457911E1024

データベース識別子

CAS
155377-19-8
PubChem CID
596095
DTXSID
DTXSID10344346
ChEMBL
CHEMBL1607482
EC Number
628-404-8
Nikkaji
J2.142.336J、J3.689.836D

物性

構造計算による物性

XLogP
1.4
極性表面積
55 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
3
重原子数
14

実験および物理化学的性質

Solubility13.4 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点
145 °C · 145 °C
沸点
301.3 · 301.3±42.0 °C(Predicted)
比重(密度)
1.397 · 1.397±0.06 g/cm3(Predicted)
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性White to tan 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 (97.7%): 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 44 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 (97.7%)

安全データ

wgk
3
hs_code
29331990
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39

化学と産業

応用分野

使用Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate (cas# 155377-19-8) is a compound useful in organic synthesis.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

関連反応

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