5-Fluoro-2-methyl-1H-indene-3-acetic acid

2-(5-fluoro-2-methyl-1H-inden-3-yl)acetic acid · Sulindac Impurity 7 · (5-Fluoro-2-methyl-1H-inden-3-yl) · 5-FLUORO-2-METHYLINDENE-3-ACETIC ACID · 5-Fluoro-3-methylindene-2-acetic acid · 5-fluoro-2-methyl-1H-indene-3-acetic acid · 2-Methyl-5-fluoro-1H-indene-3-acetic acid · 2-(5-Fluoro-2-methyl-3-indenyl)acetic Acid

https://huagongshe.com/ko/chemical/3015608

5-Fluoro-2-methyl-1H-indene-3-acetic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	32004-66-3
분자식	C12H11FO2
평균 분자량	206.21 g/mol
단동위원소 질량	206.07430781 g/mol
SMILES	CC1=C(CC(=O)O)c2cc(F)ccc2C1
InChIKey	QDDPPRDVFIJASZ-UHFFFAOYSA-N
PubChem CID	3015608
EC No.	250-891-7
DTXSID	DTXSID20185848

화학 및 물리적 성질

XLogP	1.7
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	15
형식 전하	0
복잡도	309
끓는 점	344.5±42.0 °C(Predicted)
밀도	1+-.0.06 g/cm3(Predicted)
저장 조건	2-8°C
물리적 상태	solid
pKa(산도 계수)	4.30±0.10(Predicted)
InChI	InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
InChIKey	QDDPPRDVFIJASZ-UHFFFAOYSA-N
SMILES	C1C2=C(C=C(F)C=C2)C(CC(O)=O)=C1C

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 07-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19563
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	WGK 3
관세 코드	2916200090
위험 표시	Xi
위험 등급	IRRITANTAcute Tox. 4 Oral
저장 분류	11 - Combustible Solids