{[2-ブロモ-1-(ブロモメチル)エトキシ]メチル}ベンゼン

(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene

HCID 561824

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 35995-55-2
標準SMILES: BrCC(CBr)OCc1ccccc1
InChIKey: HVELAOQZAFXLRD-UHFFFAOYSA-N
分子式: C10H12Br2O
平均分子量: 308.01 g/mol
単同位体質量: 305.9254892

名称と識別子

優先名称: (((1,3-Dibromopropan-2-yl)oxy)methyl)benzene
IUPAC: 1,3-dibromopropan-2-yloxymethylbenzene
現地名: {[2-ブロモ-1-(ブロモメチル)エトキシ]メチル}ベンゼン
英語名: Ether, benzyl 2-bromo-1-(bromomethyl)ethyl
分子式: C10H12Br2O
分子量: 308.01

名称と別名

(((1,3-dibromopropan-2-yl)oxy)methyl)benzene{[(1,3-DIBROMOPROPAN-2-YL)OXY]METHYL}BENZENERefChem:389377850-531-435995-55-2Benzene, [[2-bromo-1-(bromomethyl)ethoxy]methyl]-1,3-dibromopropan-2-yloxymethylbenzene((1,3-dibromopropan-2-yloxy)methyl)benzeneEther, benzyl 2-bromo-1-(bromomethyl)ethyl{[2-Bromo-1-(bromomethyl)ethoxy]methyl}benzene1-bromo-2-benzyloxy-3-bromopropaneMFCD12963987

名称をさらに表示

{[2-ブロモ-1-(ブロモメチル)エトキシ]メチル}ベンゼン[[(1,3-Dibromo-2-propyl)oxy]methyl]benzene{[(1,3-dibromoprop-2-yl)oxy]methyl}benzene

benzyl 2-bromo-1-(bromomethyl)ethyl ether[2-bromo-1-(bromomethyl)ethoxy]methylbenzene(((1,3-Dibromopropan-2-yl)oxy)methyl)benzene; 2-(Benzyloxy)-1,3-dibromopropane; 2-Bromo-1-(bromomethyl)-1-(phenylmethoxy)ethane; [[2-Bromo-1-(bromomethyl)ethoxy]methyl]benzene[2-Bromo-1-(bromomethyl)ethoxymethyl]benzeneSCHEMBL8723582-benzyloxy-1,3-dibromo-propaneDTXSID10340126ALBB-027965

データベース識別子

CAS: 35995-55-2
PubChem CID: 561824
DTXSID: DTXSID10340126
EC Number: 850-531-4
Nikkaji: J2.027.435B

物性

構造計算による物性

XLogP: 3.2
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: 5
重原子数: 13
形式電荷: 0
複雑度: 120

物理化学的性質

沸点: 148 · 148-155 °C(Press: 3 Torr)
比重(密度): 1.635 · 1.635±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.