4-플루오로-3-(트리플루오로메틸)페놀

4-Fluoro-3-(trifluoromethyl)phenol

HCID 601854

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61721-07-1
표준 SMILES: Oc1ccc(F)c(C(F)(F)F)c1
InChIKey: DHPCRFYUUWAGAH-UHFFFAOYSA-N
분자식: C7H4F4O
평균 분자량: 180.1 g/mol
단동위원소 질량: 180.01982763

이름 및 식별자

우선 이름: 4-Fluoro-3-(trifluoromethyl)phenol
IUPAC: 4-fluoro-3-(trifluoromethyl)phenol
현지명: 4-플루오로-3-(트리플루오로메틸)페놀
영어명: 4-Fluoro-3-(trifluoromethyl)phenol
분자식: C7H4F4O
분자량: 180.1

이름 및 동의어

4-Fluoro-3-(trifluoromethyl)phenol4-fluoro-3-trifluoromethylphenolDTXSID70345096RefChem:523190DTXCID70296170432-560-061721-07-12-Fluoro-5-hydroxybenzotrifluoride3-trifluoromethyl-4-fluorophenol4-fluoro-3-trifluoromethyl phenolMFCD00043875phenol, 4-fluoro-3-(trifluoromethyl)-

이름 더 보기

4-플루오로-3-(트리플루오로메틸)페놀4-Fluoro-3-trifluoromethylà,à,à-4-tetrafluoro-m-cresol4-fluoro-3-trifluomethylphenol4-Fluoro-3-(trifluoromethyl)phenol98%4-Fluoro-3-(trifluoromethyl)phenol>4-Fluoro-3-(trifluoromethyl)phenol 98%

alpha,alpha,alpha,4-Tetrafluoro-m-cresolSCHEMBL156681SCHEMBL1283959SCHEMBL309776093-trifluoromethyl-4-fluoro phenol4-fluoro-3-trifluoromethyl-phenol4-fluoro-3-(trifluoromethyl)-phenolCL8505

데이터베이스 식별자

CAS: 61721-07-1
PubChem CID: 601854
DTXSID: DTXSID70345096
EC Number: 432-560-0、642-873-6
Nikkaji: J1.162.058B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 17 °C · 17 °C
끓는 점: 84 · 84-86°C 15mm
밀도: 1.145 · 1.145
굴절률: 1.45 · 1.45
인화점: 90 °C · 90°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 8.97 · 8.97±0.18(Predicted)
색상: White or Colorless to Orange to Green
BRN: 2098736 · 2098736
InChI: InChI=1S/C7H4F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKey: DHPCRFYUUWAGAH-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(C(F)(F)F)=C1

화학적 성질

Colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)