2-(4-클로로페녹시)에탄올

2-(4-Chlorophenoxy)ethanol

HCID 15907CAS 1892-43-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCOc1ccc(Cl)cc1
InChIKey: GEGSSUSEWOHAFE-UHFFFAOYSA-N
분자식: C8H9ClO2
평균 분자량: 172.61 g/mol
단동위원소 질량: 172.02910721

개요

2-(4-chlorphenoxy)-ethanol is an aromatic ether.

이름 및 식별자

우선 이름: 2-(4-Chlorophenoxy)ethanol
IUPAC: 2-(4-chlorophenoxy)ethanol
현지명: 2-(4-클로로페녹시)에탄올
영어명: 2-(4-Chlorophenoxy)ethanol
분자식: C8H9ClO2
분자량: 172.61

이름 및 동의어

2-(4-Chlorophenoxy)ethanolChlorophetanolEthanol, 2-(4-chlorophenoxy)-2-(4-chlorophenoxy)ethan-1-ol2-(4-chlorphenoxy)-ethanolp-Chlorfenylmonoglykolether2-(4'-Chlorfenoxy)ethanolp-Chlorophenyl 2-hydroxyethyl etherNSC 8133p-Chlorfenylmonoglykolether [Czech]chlorophenoxyethanolEINECS 217-578-7

이름 더 보기

2-(4-클로로페녹시)에탄올FungisanMycotetracidChloro-p-phenoxetol4-CHLOROPHENOXYETHANOL2-(4’-chlorfenoxy)ethanol2-(4-chlorophenoxy)-ethano2-(p-chlorophenoxy)-ethano2-(P-CHLOROPHENOXY)ETHANOL

2-(4'-Chlorfenoxy)ethanol [Czech]UNII-Q73I5T98DABRN 1365684AI3-022254-(2-Hydroxyethoxy)chlorobenzene2-(4'-Chlorophenoxy)ethanolEthylene glycol mono(p-chlorophenyl) etherDTXSID1062047

데이터베이스 식별자

CAS: 1892-43-9、38797-58-9
PubChem CID: 15907
DTXSID: DTXSID1062047
ChEMBL: CHEMBL3707367
ChEBI: CHEBI:135944
UNII: Q73I5T98DA
EC Number: 217-578-7
Nikkaji: J54.935E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 100

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: 30 °C · 30°C
끓는 점: 135 · 135-136°C 6mm
밀도: 1.26 · 1.26
굴절률: 1.551 · 1.5510
인화점: 135 · 135-136°C/6mm
저장 조건: 2 · 2-8°C
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 14.18 · 14.18±0.10(Predicted)
색상: White or Colorless to Yellow
수용성: 3.1 g/L · 물에 용해됨 3.1g/L @ 25°C.
BRN: 1365684 · 1365684
EPA: 2 · Ethanol, 2-(4-chlorophenoxy)- (1892-43-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (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.

유해성 정보

Regulatory Information · 3건

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.

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

안전 데이터

tsca: TSCA listed
rtecs: KK2100000
ridadr: 2811
독성: rabbit,LD50,skin,500uL/kg (0.5mL/kg),American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
HS 번호: 2909.49.1500
risk_code: 21/22-36/38
safety_code: 23-36/37/39
포장분류: III
위험 등급: 6.1