5-브로모-2-클로로-4'-에톡시디페닐메탄

5-브로모-2-클로로-4'-에톡시디페닐메탄 · 5-bromo-2-chloro-4’-ethoxydiphenylmethane · 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene · Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]- · 1-(5-broMo-2-chlorobenzyl)-4-ethoxybenzene · 4-(Dibenzofuranyl)boronic · Dapagliflozin Bromo impurity · 5-bromo-2-chloro-4'-ethoxydiphenylmethane

https://huagongshe.com/ko/chemical/9996449

식별자 및 물리적 특성

CAS No.	461432-23-5
분자식	C15H14BrClO
평균 분자량	325.63 g/mol
단동위원소 질량	323.99165485 g/mol
SMILES	CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey	ZUNCHZBITMUSRD-UHFFFAOYSA-N
PubChem CID	9996449
EC No.	636-921-5
DTXSID	DTXSID60433931
현지명	5-브로모-2-클로로-4'-에톡시디페닐메탄

화학 및 물리적 성질

XLogP	5.5
극성 표면적	9.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	18
형식 전하	0
복잡도	241
끓는 점	393.0±32.0 °C(Predicted)
밀도	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	This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.DangerH302 (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.
규제 정보	Status: Active Update: 13-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22914
Hazard Classes and Categories	Acute Tox. 4 (14.6%)
관세 코드	2909309090

용도

5-Bromo-2-chloro-4'-ethoxydiphenylmethane is a hydrocarbon derivative and can be used as an intermediate for dapagliflozin.