2-Trifluoromethylphenol (HCID 67958)

개요

a vasoconstrictor agent, which inhibits neurogenic oedema by 55.8+-6.5%

이름 및 식별자

우선 이름: 2-Trifluoromethylphenol
IUPAC: 2-(trifluoromethyl)phenol
영어명: alpha,alpha,alpha-Trifluoro-o-cresol
분자식: C7H5F3O
분자량: 162.11

이름 및 동의어

2-TrifluoromethylphenolTRIMPOHRefChem:5550512-(Trifluoromethyl)phenol444-30-42-Hydroxybenzotrifluorideo-Trifluoromethylphenolalpha,alpha,alpha-Trifluoro-o-cresolo-HydroxybenzotrifluoridePhenol, 2-(trifluoromethyl)-A,A,A-Trifluoro-o-cresolMFCD00002222

이름 더 보기

alpha,alpha,alpha-Tr0-Trifluoromethylphenolα,α,α-Trifluoro-o-cresolà,à,à-trifluoro-o-cresol?,?,?-trifluoro-o-cresolα,α,α-trifluoro-o-cresol

o-(Trifluoromethoxy)phenolo-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-44-30-4o-(Trifluoromethyl)phenoltrifluoromethylphenolEINECS 207-148-72-trifluoromethyphenol2-trifluromethylphenol

데이터베이스 식별자

CAS: 444-30-4
PubChem CID: 67958
DTXSID: DTXSID0074849
ChEMBL: CHEMBL223906
EC Number: 207-148-7
Nikkaji: J27.289B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.73

물리화학적 성질

녹는점: 45 · 45-46 °C (lit.)
끓는 점: 147 · 147-148 °C (lit.)
밀도: 1.3 · 1.3
인화점: 150 °F · 150 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 결정질 저융점 고체
산도 계수 (pKa): 8.95 · 8.95(at 25℃)
색상: 하얀색
BRN: 1867917 · 1867917
안정성: 안정적인. 가연성. 산화제, 산 염화물, 산 무수물과 호환되지 않습니다.
InChI: 1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChIKey: ZOQOPXVJANRGJZ-UHFFFAOYSA-N
SMILES: Oc1ccccc1C(F)(F)F
NIST: 2 · Phenol, 2-(trifluoromethyl)-(444-30-4)
EPA: 2 · 2-(Trifluoromethyl)phenol (444-30-4)

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 43.5% (37 of 85) of reports.

Danger

H228 (47.1%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (47.1%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29081990
risk_code: 20/21/22-36/37/38-41
hazard_code: Xn,Xi
safety_code: 26-36-24/25
포장분류: Ⅱ
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Sol. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도2-Hydroxybenzotrifluoride was used to investigate the self-aggregation of polyanion-containing cinnamoyl group with diazoresin (DR) to form stable covalent ultrathin film by UV irradiation.