4-브로모-2-(트리플루오로메틸)페놀

o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-

HCID 142784

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50824-04-9
표준 SMILES: Oc1ccc(Br)cc1C(F)(F)F
InChIKey: PDPGERGWEOJVDC-UHFFFAOYSA-N
분자식: C7H4BrF3O
평균 분자량: 241 g/mol
단동위원소 질량: 239.93976

이름 및 식별자

우선 이름: o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-
IUPAC: 4-bromo-2-(trifluoromethyl)phenol
현지명: 4-브로모-2-(트리플루오로메틸)페놀
영어명: 4-Bromo-2-(trifluoromethyl)phenol
분자식: C7H4BrF3O
분자량: 241.01

이름 및 동의어

4-Bromo-2-(trifluoromethyl)phenol50824-04-9o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-DTXSID40198854RefChem:855227DTXCID00121345642-593-44-Bromo-2-trifluoromethylphenolMFCD056689815-Bromo-2-hydroxybenzotrifluoride4-Bromo-2-(trifluoromethyl);phenol4-bromo-2-(trifluoromethyl)benzenol

이름 더 보기

4-브로모-2-(트리플루오로메틸)페놀4-BroMo-2-(trifluoroMethyl)phenol44-Beromo-2-(trifluoromethyl)benzenol4-Bromo-2-(trifluoromethyl)phenol >5-Bromo-2-hydroxybenzotrifluoride 99%4-broMo -2-three fluorineMethyl phenol4-Bromo-2-(trifluoromethyl)phenol, 4-Bromo-alpha,alpha,alpha-trifluoro-o-cresol

Phenol, 4-bromo-2-(trifluoromethyl)-SCHEMBL414645SCHEMBL15986257SCHEMBL163451864-bromo-2-trifluoromethyl-phenol4-bromo-2-(trifluoro-methyl)phenol4-bromo-2-(trifluoromethyl) phenol4-bromo-2-(trifluoromethyl)-phenol

데이터베이스 식별자

CAS: 50824-04-9
PubChem CID: 142784
DTXSID: DTXSID40198854
EC Number: 642-593-4
Nikkaji: J1.221.557F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 83 · 83-85°
끓는 점: 203.4 · 203.4±35.0 °C(Predicted)
밀도: 1.752 · 1.752±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 7.41 · 7.41±0.43(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKey: PDPGERGWEOJVDC-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C=C1C(F)(F)F

화학적 성질

light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): 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, 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 9 reports by companies from 5 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.