4-[(4-TRIFLUOROMETHYL)PHENOXY]페놀

p-(4-(Trifluoromethyl)phenoxy)phenol

HCID 170230

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39634-42-9
표준 SMILES: Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey: FJFSSESWAFPCSU-UHFFFAOYSA-N
분자식: C13H9F3O2
평균 분자량: 254.2 g/mol
단동위원소 질량: 254.05546401

이름 및 식별자

우선 이름: p-(4-(Trifluoromethyl)phenoxy)phenol
IUPAC: 4-[4-(trifluoromethyl)phenoxy]phenol
현지명: 4-[(4-TRIFLUOROMETHYL)PHENOXY]페놀
영어명: 4-[(4-Trifluoromethyl)phenoxy]phenol
분자식: C13H9F3O2
분자량: 254.2

이름 및 동의어

4-[4-(Trifluoromethyl)phenoxy]phenol4-(4-(trifluoromethyl)phenoxy)phenolPhenol, 4-[4-(trifluoromethyl)phenoxy]-p-(4-(Trifluoromethyl)phenoxy)phenolEINECS 254-549-8Phenol, 4-(4-(trifluoromethyl)phenoxy)-P-[4-(trifluoromethyl)phenoxy]phenolRefChem:857930254-549-839634-42-94-[(4-Trifluoromethyl)Phenoxy]PhenolMFCD00192527

이름 더 보기

4-[(4-TRIFLUOROMETHYL)PHENOXY]페놀4-(4-(Trifluoromethyl)LABOTEST-BB LT00453427p-(p-Trifluoromethylphenoxy)phenol4-[4-(trifluoromethyl)phenoxy]-pheno4-(4-(TRIFLUOROMETHYL)PHENOXY)-PHENOL, 9 8%

C13H9F3O2SCHEMBL1765673SCHEMBL8684058CHEMBL4279352DTXSID60681914-(4-trifluoromethylPhenoxy)phenol4-(4-trifluoromethylPhenoxy)-phenolSBB057834

데이터베이스 식별자

CAS: 39634-42-9
PubChem CID: 170230
DTXSID: DTXSID6068191
ChEMBL: CHEMBL4279352
EC Number: 254-549-8
Nikkaji: J32.009I

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 251

물리화학적 성질

녹는점: 49 · 49-54 °C(lit.)
끓는 점: 319.4 · 319.4±42.0 °C(Predicted)
밀도: 1.324 · 1.324±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.82 · 9.82±0.15(Predicted)
물리적 상태: solid
BRN: 2055876 · 2055876
InChI: 1S/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H
InChIKey: FJFSSESWAFPCSU-UHFFFAOYSA-N
SMILES: Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
EPA: 4 · Phenol, 4-[4-(trifluoromethyl)phenoxy]- (39634-42-9)

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 39 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.