2,3,4-Trifluorophenol

HCID 123174CAS 2822-41-5

기본 정보

표준 SMILES: Oc1ccc(F)c(F)c1F
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
분자식: C6H3F3O
평균 분자량: 148.08 g/mol
단동위원소 질량: 148.01359938

이름 및 식별자

우선 이름: 2,3,4-Trifluorophenol
IUPAC: 2,3,4-trifluorophenol
영어명: 2,3,4-TRIFLUOROPHENOL
분자식: C6H3F3O
분자량: 148.08

이름 및 동의어

2,3,4-TrifluorophenolPhenol,2,3,4-trifluoro-Phenol, 2,3,4-trifluoro-IJGSULQFKYOYEU-UHFFFAOYSA-DTXSID30182469RefChem:81316DTXCID90104960624-427-2IJGSULQFKYOYEU-UHFFFAOYSA-NInChI=1/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H2822-41-5trifluorophenol

이름 더 보기

2,3,4-TrifL3-chloro-4-flurotoluene2,3,4-Trifluorophenol98%2,3,4-Trifluorophenol 98%2,3,4-Trifluorophenol,97%2,3,4-TRIFLUOROPHENOL ISO 9001：2015 REACH

MFCD000424262,3,4-Trifluorophenol Hydrate2,3,4-trifluoro-phenolSCHEMBL78856SCHEMBL155976SCHEMBL164243SCHEMBL160501312,3,4-Trifluorophenol, 97%

데이터베이스 식별자

CAS: 2822-41-5
PubChem CID: 123174
DTXSID: DTXSID30182469
EC Number: 624-427-2
Nikkaji: J432.239H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 120

물리화학적 성질

녹는점: 30 · 30-34 °C (lit.)
끓는 점: 69 °C/43 · 69 °C/43 mmHg (lit.)
밀도: 1.46 g/mL · 1.46 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.465(lit.)
인화점: 138 °F · 138 °F
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light orange to Yellow
Specific Gravity: 1.46 · 1.460
수용성: 62.2 g/L · 62.2g/L(25℃)
BRN: 3245610 · 3245610
InChI: 1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
SMILES: Oc1ccc(F)c(F)c1F
NIST: 2 · Phenol,2,3,4-trifluoro-(2822-41-5)

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (97.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenol, 2,3,4-trifluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 1 (97.9%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29081000
risk_code: 20/21/22-36/37/38-34-11
hazard_code: Xn,Xi
safety_code: 26-36/37/39-45-16
포장분류: III
위험 등급: 4.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도2,3,4-Trifluorophenol can be used as a supported catalyst for olefin polymerization and load methods. It can also be used as a resin compound for cladding of optical fiber.

일반 설명2,3,4-Trifluorophenol is an ortho-fluorinated trifluorophenol. Biodegradation and oxidative biodehalogenation of 2,3,4-trifluorophenol has been studied by 19F nuclear magnetic resonance (NMR) spectra.