2-플루오로페닐아세트산

2-플루오로페닐아세트산 · O-fluorine acid · RARECHEM AL BO 0110 · 2-Fluorophenylacetic · o-flurophenylacetic acid · 2-Fluorphenylessigsaeure · 2-fluoro-benzeneaceticaci · 2-FLUOROPHENYLACETIC ACID

https://huagongshe.com/ko/chemical/67979

식별자 및 물리적 특성

CAS No.	451-82-1
분자식	C8H7FO2
평균 분자량	154.14 g/mol
단동위원소 질량	154.04300768 g/mol
SMILES	O=C(O)Cc1ccccc1F
InChIKey	RPTRFSADOICSSK-UHFFFAOYSA-N
PubChem CID	67979
EC No.	207-196-9
DTXSID	DTXSID1060007
현지명	2-플루오로페닐아세트산

화학 및 물리적 성질

XLogP	1.5
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	147
녹는점	60-62 °C (lit.)
끓는 점	203.5°C (rough estimate)
밀도	1.1850 (estimate)
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	4.01±0.10(Predicted)
색상	회백색
BRN	775955
InChI	InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	RPTRFSADOICSSK-UHFFFAOYSA-N
SMILES	C1(CC(O)=O)=CC=CC=C1F
NIST	O-fluorophenylacetic acid(451-82-1)
EPA	Benzeneacetic acid, 2-fluoro- (451-82-1)

화학적 성질

white to off-white shiny crystals or crystalline

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29163990
위험 문구(R)	38-36/37/38
위험 표시	Xi
안전 문구(S)	22-24/25-36/37/39-27-26
위험 등급	IRRITANTSkin Irrit. 2
F 고인화성물질	13
저장 분류	11 - Combustible Solids

용도

2-Fluorophenylacetic acid was used: in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamineas chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy

일반 설명

2-Fluorophenylacetic acid is chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy.