에틸3-(트리플루오로메틸)피라졸-4-카르복실레이트

Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate

HCID 596095CAS 155377-19-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1cn[nH]c1C(F)(F)F
InChIKey
VYXIHSAEOXPAEY-UHFFFAOYSA-N
분자식
C7H7F3N2O2
평균 분자량
208.14 g/mol
단동위원소 질량
208.04596196

이름 및 식별자

우선 이름
Ethyl 3-(Trifluoromethyl)pyrazole-4-carboxylate
IUPAC
ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
현지명
에틸3-(트리플루오로메틸)피라졸-4-카르복실레이트
영어명
Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
분자식
C7H7F3N2O2
분자량
208.14

이름 및 동의어

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
이름 더 보기
에틸3-(트리플루오로메틸)피라졸-4-카르복실레이트BUTTPARK 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.4
극성 표면적
55 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
145 °C · 145 °C
끓는 점
301.3 · 301.3±42.0 °C(Predicted)
밀도
1.397 · 1.397±0.06 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal

화학적 성질

White to tan powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk
3
HS 번호
29331990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37/39
위험 참고 사항
Irritant

화학 및 산업

응용 분야

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

상·하류 제품 정보

공급사50 곳

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

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