2-(4-클로로페녹시)에탄올

2-(4-클로로페녹시)에탄올 · Fungisan · Mycotetracid · Chlorophetanol · Chloro-p-phenoxetol · 4-CHLOROPHENOXYETHANOL · 2-(4'-Chlorfenoxy)ethanol · 2-(4’-chlorfenoxy)ethanol

https://huagongshe.com/ko/chemical/15907

식별자 및 물리적 특성

CAS No.	1892-43-9
분자식	C8H9ClO2
평균 분자량	172.61 g/mol
단동위원소 질량	172.02910721 g/mol
SMILES	OCCOc1ccc(Cl)cc1
InChIKey	GEGSSUSEWOHAFE-UHFFFAOYSA-N
PubChem CID	15907
ChEMBL	CHEMBL3707367
ChEBI	CHEBI:135944
EC No.	217-578-7
DTXSID	DTXSID1062047
현지명	2-(4-클로로페녹시)에탄올

화학 및 물리적 성질

XLogP	1.8
극성 표면적	29.5
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	100
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	Boiling point
녹는점	30°C
끓는 점	135-136°C 6mm
밀도	1.26
굴절률	1.5510
인화점	135-136°C/6mm
저장 조건	2-8°C
물리적 상태	powder to lump to clear liquid
pKa(산도 계수)	14.18±0.10(Predicted)
색상	White or Colorless to Yellow
용해도	물에 용해됨 3.1g/L @ 25°C.
BRN	1365684
EPA	Ethanol, 2-(4-chlorophenoxy)- (1892-43-9)

안전 및 규제

GHS 분류	DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-(4-chlorophenyl)-.omega.-hydroxy-Chemical: Ethanol, 2-(4-chlorophenoxy)-FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
기타 안전 정보	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Acute Tox. 4 (88.6%)
TSCA 등재 상태	TSCA listed
RTECS 번호	KK2100000
운송 번호(UN)	2811
독성	rabbit,LD50,skin,500uL/kg (0.5mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
관세 코드	2909.49.1500
위험 문구(R)	21/22-36/38
안전 문구(S)	23-36/37/39
포장분류	III
위험 등급	6.1

용도

2-(4-Chlorophenoxy)ethanol is used as a pharmaceutical intermediate.