4-Bromo-2,8-bis(trifluoromethyl)quinoline

HCID 4071242

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35853-45-3
표준 SMILES: FC(F)(F)c1cc(Br)c2cccc(C(F)(F)F)c2n1
InChIKey: DXALAFAFIXJDOS-UHFFFAOYSA-N
분자식: C11H4BrF6N
평균 분자량: 344.05 g/mol
단동위원소 질량: 342.94313

이름 및 식별자

우선 이름: 4-Bromo-2,8-bis(trifluoromethyl)quinoline
IUPAC: 4-bromo-2,8-bis(trifluoromethyl)quinoline
영어명: 2,8-Bis(trifluoromethyl)-4-bromoquinoline
분자식: C11H4BrF6N
분자량: 344.05

이름 및 동의어

4-Bromo-2,8-bis(trifluoromethyl)quinoline35853-45-3DTXSID60399008RefChem:98046DTXCID20349867609-183-72,8-Bis(trifluoromethyl)-4-bromoquinolineMFCD00075340C11H4BrF6NCC-PMLSC-DMA-P1084-bromo-2,8-bistrifluoromethylquinolineSCHEMBL2790491

이름 더 보기

2,8-BIS(TRIFL)-4-BROMOQUINOL1-METHYL-3-(AMINOMETHYL)PIPERIDINE2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLIN4-Bromo-2,8-bis(trifluoromethyl)quinoline, >=98%2,8-BIS(TRIFLUOROMETHYL)-4-BROMOQUINOLINE ISO 9001：2015 REACH

BDBM35448cid_4071242AKOS015853172AB02869SY023885CS-0155815Quinoline, 4-bromo-2,8-bis(trifluoromethyl)-Quinoline, 4-bromo

데이터베이스 식별자

CAS: 35853-45-3
PubChem CID: 4071242
DTXSID: DTXSID60399008
EC Number: 609-183-7
Nikkaji: J2.126.740F

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 19
형식 전하: 0
복잡도: 328

물리화학적 성질

녹는점: 62 · 62-64 °C(lit.)
끓는 점: 281.6 · 281.6±35.0 °C(Predicted)
밀도: 1.72 · 1.720±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): -3.67 · -3.67±0.50(Predicted)
색상: 황백색에서 노란색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.