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

HCID 9996449

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基本情報

CAS: 461432-23-5
標準SMILES: CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N
分子式: C15H14BrClO
平均分子量: 325.63 g/mol
単同位体質量: 323.99165485

名称と識別子

優先名称: 4-Bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene
IUPAC: 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
英語名: 4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene
分子式: C15H14BrClO
分子量: 325.63

名称と別名

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

名称をさらに表示

5-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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.5
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 241

物理化学的性質

沸点: 393 · 393.0±32.0 °C(Predicted)
比重(密度): 1.371 · 1.371±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
外見: Low-Melting Solid
色: White to Off-White
安定性: 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

安全と法規制

GHS分類

GHS Classification · 5 件

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.