4-Bromo-2,6-difluoroanisole

HCID 2773287

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104197-14-0
표준 SMILES: COc1c(F)cc(Br)cc1F
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
분자식: C7H5BrF2O
평균 분자량: 223.01 g/mol
단동위원소 질량: 221.94918

이름 및 식별자

우선 이름: 4-Bromo-2,6-difluoroanisole
IUPAC: 5-bromo-1,3-difluoro-2-methoxybenzene
영어명: 4-Bromo-2,6-difluoroanisole
분자식: C7H5BrF2O
분자량: 223.01

이름 및 동의어

4-Bromo-2,6-difluoroanisole104197-14-0DTXSID20378339RefChem:98037DTXCID20329366642-791-05-Bromo-1,3-difluoro-2-methoxybenzeneMFCD016313515-bromo-1,3-difluoro-2-methoxy-benzene4-bromo-2,6-difluorophenyl methyl etherBenzene, 5-bromo-1,3-difluoro-2-methoxy-4-bromo-2,6-difluoranisole

이름 더 보기

CAS:104197-14-04-Bromo-2,6-difluoroanisole98%4-Bromo-2,6-difluoroanisole >4-Bromo-2,6-difluoroanisole 98%4-bromo-2, 6-difluorophenyl ether4-Bromo-2,6-difluoroanisole, 97+%

SCHEMBL109864-bromo-2,6-difluoro-anisol3,5-difluoro-4-methoxy-bromobenzeneSBB096414AKOS015835523CS-W0131041-Bromo-3,5-difluoro-4-methoxybenzenePS-10172

데이터베이스 식별자

CAS: 104197-14-0
PubChem CID: 2773287
DTXSID: DTXSID20378339
EC Number: 642-791-0
Nikkaji: J1.302.328J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 80 · 80-100°C 15mm
밀도: 1.65 · 1.65
굴절률: 1.51 · 1.5100
인화점: 80 · 80-100°C/15mm
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 투명한 액체
색상: 밝은 노란색에서 갈색까지
수용성: 물에 불용성.
InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey: CDOQKISJPOWBKC-UHFFFAOYSA-N
SMILES: C1(F)=CC(Br)=CC(F)=C1OC

화학적 성질

light yellow liquid

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 (37.5%): 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 8 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.