2-플루오로-3-(트리플루오로메틸)페놀

2-Fluoro-3-(trifluoromethyl)phenol

HCID 2737586

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 207291-85-8
표준 SMILES: Oc1cccc(C(F)(F)F)c1F
InChIKey: DOICLFHNNMXINV-UHFFFAOYSA-N
분자식: C7H4F4O
평균 분자량: 180.1 g/mol
단동위원소 질량: 180.0198274

이름 및 식별자

우선 이름: 2-Fluoro-3-(trifluoromethyl)phenol
IUPAC: 2-fluoro-3-(trifluoromethyl)phenol
현지명: 2-플루오로-3-(트리플루오로메틸)페놀
영어명: 2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL
분자식: C7H4F4O
분자량: 180.1

이름 및 동의어

2-Fluoro-3-(trifluoromethyl)phenol207291-85-8DTXSID60372159RefChem:87055DTXCID70323192623-667-5DOICLFHNNMXINV-UHFFFAOYSA-NPhenol, 2-fluoro-3-(trifluoromethyl)-MFCD000835542-Fluoro-3-hydroxybenzotrifluorideA814840SCHEMBL1125329

이름 더 보기

2-플루오로-3-(트리플루오로메틸)페놀Fluorotrifluoromethylphenol2-Fluoro-3-(trifluoromethyl)phenol98%2-Fluoro-3-(trifluoromethyl)phenol 98%2-Fluoro-3-hydroxybenzotrifluoride 98%2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL ISO 9001：2015 REACH3-fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acid2-Fluoro-3-(trifluoromethyl)phenol, alpha,alpha,alpha,2-Tetrafluoro-m-cresol

SCHEMBL20516522-fluoro-3-trifluoromethylphenol2-fluoro-3-(trifluoromethyl)-phenolSBB089620AKOS006220720PS-11658SY0624272-Fluoro-3-(trifluoromethyl)phenol, 97%

데이터베이스 식별자

CAS: 207291-85-8
PubChem CID: 2737586
DTXSID: DTXSID60372159
EC Number: 623-667-5

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

실험 및 물리화학적 성질

Kovats Retention Index954.8

물리화학적 성질

끓는 점: 122 °C · 122 °C (lit.)
밀도: 1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.443(lit.)
인화점: 143 °F · 143 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: low melting solid / liquid
산도 계수 (pKa): 7.704 · 7.704±0.10(predicted)
색상: Clear, colourless
InChI: 1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKey: DOICLFHNNMXINV-UHFFFAOYSA-N
SMILES: Oc1cccc(c1F)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2908190090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
safety_code: 26-36
위험 등급: TOXIC
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects