4-(트리플루오로메톡시)페녹시아세트산

2-(4-(Trifluoromethoxy)phenoxy)acetic acid

HCID 697705

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 72220-50-9
표준 SMILES: O=C(O)COc1ccc(OC(F)(F)F)cc1
InChIKey: QHSBEEUEIRDHCD-UHFFFAOYSA-N
분자식: C9H7F3O4
평균 분자량: 236.14 g/mol
단동위원소 질량: 236.02964319

이름 및 식별자

우선 이름: 2-(4-(Trifluoromethoxy)phenoxy)acetic acid
IUPAC: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
현지명: 4-(트리플루오로메톡시)페녹시아세트산
영어명: 4-(Trifluoromethoxy)phenoxyacetic acid
분자식: C9H7F3O4
분자량: 236.14

이름 및 동의어

72220-50-92-(4-(Trifluoromethoxy)phenoxy)acetic acid4-(Trifluoromethoxy)phenoxyacetic acid2-[4-(trifluoromethoxy)phenoxy]acetic acid[4-(trifluoromethoxy)phenoxy]acetic acidMFCD00052352(4-trifluoromethoxy-phenoxy)-acetic acidAcetic acid, [4-(trifluoromethoxy)phenoxy]-Acetic acid, 2-[4-(trifluoromethoxy)phenoxy]-Maybridge1_006105Acetic acid, [4-(trifluoAE-641/13516020

이름 더 보기

4-(트리플루오로메톡시)페녹시아세트산BUTTPARK 29\08-63AKOS BBS-00002887P-trifluoromethoxyphenoxyacetic acid4-(Trifluoromethoxy)phenoxyaceticacid97%4-(Trifluoromethoxy)phenoxyacetic acid 97%

SCHEMBL656941HMS558N11DTXSID603513234-trifluoromethoxyphenoxyacetic acidALBB-035243SBB040056STK727412AKOS000271180

데이터베이스 식별자

CAS: 72220-50-9
PubChem CID: 697705
DTXSID: DTXSID60351323
EC Number: 673-129-9

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 233

물리화학적 성질

녹는점: 84 · 84-86°C
끓는 점: 282.2 · 282.2±35.0 °C(Predicted)
밀도: 1.431 · 1.431±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.05 · 3.05±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 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.