5-브로모-2-클로로-4'-에톡시디페닐메탄

4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene

HCID 9996449CAS 461432-23-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N
분자식: C15H14BrClO
평균 분자량: 325.63 g/mol
단동위원소 질량: 323.99165485

이름 및 식별자

우선 이름: 4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene
IUPAC: 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
현지명: 5-브로모-2-클로로-4'-에톡시디페닐메탄
영어명: 4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
분자식: C15H14BrClO
분자량: 325.63

이름 및 동의어

4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene4-bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene4-Bromo-1-chloro-2-((4-ethoxyphenyl)methyl)benzeneRefChem:518938636-921-5928-048-6461432-23-54-bromo-1-chloro-2-(4-ethoxybenzyl)benzene5-Bromo-2-chloro-4'-ethoxydiphenylmethane4-(5-Bromo-2-chlorobenzyl)phenyl ethyl etherBenzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-MFCD11042292

이름 더 보기

5-브로모-2-클로로-4'-에톡시디페닐메탄5-bromo-2-chloro-4’-ethoxydiphenylmethane1-(5-broMo-2-chlorobenzyl)-4-ethoxybenzene4-(Dibenzofuranyl)boronicDapagliflozin Bromo impurityDapagliflozin-13Dapaglifozin DAP Bromo

5-bromo-2-chloro-4 inverted exclamation mark -ethoxydiphenylmethaneDapagliflozin Impurity 254-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene; 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene2-(4-ethoxybenzyl)-4-bromo-1-chlorobenzeneSCHEMBL381509BH764JHR9SCHEMBL29386304DTXSID60433931

데이터베이스 식별자

CAS: 461432-23-5
PubChem CID: 9996449
DTXSID: DTXSID60433931
UNII: 9BH764JHR9
EC Number: 636-921-5、928-048-6

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 241

물리화학적 성질

끓는 점: 393 · 393.0±32.0 °C(Predicted)
밀도: 1.371 · 1.371±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 저융점 고체
색상: 흰색에서 황백색까지
안정성: Stable under recommended storage conditions., Stable Under Recommended Storage C
InChI: InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(Br)C=C1CC1=CC=C(OCC)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.

Danger

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.