4-플루오로페녹시아세틱 산

4-플루오로페녹시아세틱산 · 4-플루오로페녹시아세트산 · AKOS B013819 · AKOS AU36-M57 · BUTTPARK 29\07-61 · 4-Fluorophenoxyaceti · 4-FLUOROPHENOXYACETIC ACID · P-FLUOROPHENOXYACETIC ACID

https://huagongshe.com/ko/chemical/67882

식별자 및 물리적 특성

CAS No.	405-79-8
분자식	C8H7FO3
평균 분자량	170.14 g/mol
단동위원소 질량	170.03792224 g/mol
SMILES	O=C(O)COc1ccc(F)cc1
InChIKey	ZBIULCVFFJJYTN-UHFFFAOYSA-N
PubChem CID	67882
ChEMBL	CHEMBL3249298
EC No.	206-974-5
DTXSID	DTXSID30193510
현지명	4-플루오로페녹시아세틱 산

화학 및 물리적 성질

XLogP	1.6
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	152
녹는점	104-104.5 °C (lit.)
끓는 점	295.2±15.0 °C(Predicted)
밀도	1.2708 (estimate)
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	pK1:3.13 (25°C)
색상	흰색에서 황백색까지
BRN	2259128
InChI	1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	ZBIULCVFFJJYTN-UHFFFAOYSA-N
SMILES	OC(=O)COc1ccc(F)cc1
NIST	P-fluorophenoxyacetic acid(405-79-8)

화학적 성질

white to light beige crystalline powder

안전 및 규제

GHS 분류	WarningH302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 8 reports by companies from 5 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.
Hazard Classes and Categories	Acute Tox. 4 (12.5%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (87.5%)
수질 위해 등급(WGK)	3
관세 코드	29189900
위험 문구(R)	36/37/38-22
위험 표시	Xn,Xi
안전 문구(S)	37/39-26-24/25
위험 등급	IRRITANT
저장 분류	11 - Combustible Solids