2-플루오로-5-(트리플루오로메틸)페놀

2-Fluoro-5-(trifluoromethyl)phenol

HCID 518888

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 141483-15-0
표준 SMILES: Oc1cc(C(F)(F)F)ccc1F
InChIKey: MCOSBFKOUQAIJS-UHFFFAOYSA-N
분자식: C7H4F4O
평균 분자량: 180.1 g/mol
단동위원소 질량: 180.01982763

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)phenol
IUPAC: 2-fluoro-5-(trifluoromethyl)phenol
현지명: 2-플루오로-5-(트리플루오로메틸)페놀
영어명: 2-Fluoro-5-(trifluoromethyl)phenol
분자식: C7H4F4O
분자량: 180.1

이름 및 동의어

2-Fluoro-5-(trifluoromethyl)phenol141483-15-0DTXSID20333842RefChem:87095DTXCID30284932626-640-6MCOSBFKOUQAIJS-UHFFFAOYSA-N2-fluoro-5-trifluoromethylphenolPhenol, 2-fluoro-5-(trifluoromethyl)-MFCD000612864-Fluoro-3-hydroxybenzotrifluorideSCHEMBL104056

이름 더 보기

2-플루오로-5-(트리플루오로메틸)페놀2-Fluoro-5-(trifluorà,à,à,6-tetrafluoro-m-cresol2-Fluoro-5-(trifuoroMethyl)phenol2-Fluoro-5-(trifluoromethyl)phenol>2-Fluoro-5-(trifluoromethyl)phenol98%2-Fluoro-5-(trifluoromethyl)phenol 98%alpha,alpha,alpha,6-Tetrafluoro-m-cresol

SCHEMBL34590722-Fluoro-5-trifluoromethyl-phenol5-(trifluoromethyl)-2-fluorophenolSBB089622AKOS005258020AC-3811CS-W017229DS-0822

데이터베이스 식별자

CAS: 141483-15-0
PubChem CID: 518888
DTXSID: DTXSID20333842
EC Number: 626-640-6
Nikkaji: J710.501K

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

끓는 점: 146 °C · 146 °C(lit.)
밀도: 1.436 g/mL · 1.436 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.439(lit.)
인화점: 135 °F · 135 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 7.7 · 7.70±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.436 · 1.436
색상: 무색~주황색 투명
BRN: 8392138 · 8392138
InChI: 1S/C7H4F4O/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H
InChIKey: MCOSBFKOUQAIJS-UHFFFAOYSA-N
SMILES: Oc1cc(ccc1F)C(F)(F)F

화학적 성질

Clear colorless to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29081990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
safety_code: 26-36
포장분류: III
위험 등급: 3
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids