4-(4-ブロモフェニル)モルホリン

4-(4-Bromophenyl)morpholine

HCID 11622851CAS 30483-75-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Brc1ccc(N2CCOCC2)cc1
InChIKey: UJTKZWNRUPTHSB-UHFFFAOYSA-N
分子式: C10H12BrNO
平均分子量: 242.11 g/mol
単同位体質量: 241.0102261

名称と識別子

優先名称: 4-(4-Bromophenyl)morpholine
IUPAC: 4-(4-bromophenyl)morpholine
現地名: 4-(4-ブロモフェニル)モルホリン
英語名: N-(4-Bromophenyl)morpholine
分子式: C10H12BrNO
分子量: 242.11

名称と別名

4-(4-Bromophenyl)morpholine30483-75-1DTXSID50469608RefChem:287887DTXCID00420426627-700-4Morpholine, 4-(4-bromophenyl)-N-(4-Bromophenyl)morpholineMFCD041124834-(4-bromo-phenyl)-morpholine4-bromophenyl-morpholineSCHEMBL1515927

名称をさらに表示

4-(4-ブロモフェニル)モルホリン1-モルホリノ-4-ブロモベンゼン4-(4-bromophenyl)morpholino1-Bromo-4-morpholinobenzene4-(4'-BROMOPHENYL)MORPHOLINEMorpholine,4-(4-bromophenyl)-4-(4-Bromophenyl)morpholine 97%

4-(4-bromo-phenyl) morpholine4-(morpholin-4-yl)-bromobenzeneUJTKZWNRUPTHSB-UHFFFAOYSA-N1-bromo-4-(4-morpholinyl)benzene4-(4-Bromophenyl)morpholine, 97%AKOS005254911AC-3335CS-W009360

データベース識別子

CAS: 30483-75-1
PubChem CID: 11622851
DTXSID: DTXSID50469608
EC Number: 627-700-4
Nikkaji: J1.715.726D

物性

構造計算による物性

XLogP: 2.1
極性表面積: 12.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 114 · 114-118 °C (lit.)
沸点: 341.2 · 341.2±37.0 °C(Predicted)
比重(密度): 1.433 · 1.433±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 4.33 · 4.33±0.40(Predicted)
色: White to Light yellow to Light orange
InChI: InChI=1S/C10H12BrNO/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKey: UJTKZWNRUPTHSB-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(Br)C=C2)CCOCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用N-(4-BROMOPHENYL)MORPHOLINE is used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.