3-(Trifluoromethoxy)phenol

HCID 2733261CAS 827-99-6

기본 정보

표준 SMILES: Oc1cccc(OC(F)(F)F)c1
InChIKey: UWLJERQTLRORJN-UHFFFAOYSA-N
분자식: C7H5F3O2
평균 분자량: 178.11 g/mol
단동위원소 질량: 178.02416406

이름 및 식별자

우선 이름: 3-(Trifluoromethoxy)phenol
IUPAC: 3-(trifluoromethoxy)phenol
영어명: 3-(Trifluoromethoxy)phenol
분자식: C7H5F3O2
분자량: 178.11

이름 및 동의어

3-(Trifluoromethoxy)phenol827-99-6DTXSID90369815RefChem:276039DTXCID00320851624-668-3m-(trifluoromethoxy)phenolMFCD000409873-(trifluoromethoxy) phenol3-trifluoromethoxyphenol3-[(trifluoromethyl)oxy]phenol3-Hydroxyphenyl Trifluoromethyl Ether

이름 더 보기

3-trifluoroMethoxylphenolPhenol,3-(trifluoromethoxy)-Inter- Trifluoro Methyphenols3-(Trifluoromethoxy)phenol98%3-(Trifluoromethoxy)phenol 98%

Phenol, 3-(trifluoromethoxy)-3-Trifluoromethoxy-phenolm-trifluoromethoxyphenolm-trifluoromethoxy phenol3-trifluoromethoxy phenol3-(Tifluoromethoxy)phenolSCHEMBL224912SCHEMBL1045886

데이터베이스 식별자

CAS: 827-99-6
PubChem CID: 2733261
DTXSID: DTXSID90369815
EC Number: 624-668-3
Nikkaji: J1.390.555J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 146

물리화학적 성질

끓는 점: 69 · 69-70 °C12 mm Hg(lit.)
밀도: 1.379 g/mL · 1.379 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.446(lit.)
인화점: 184 °F · 184 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 8.83 · 8.83±0.10(Predicted)
Specific Gravity: 1.379 · 1.379
색상: 무색~황색으로 투명함
BRN: 1868036 · 1868036

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.