3-モルホリノフェノール

3-Morpholinophenol

HCID 141343

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 27292-49-5
標準SMILES: Oc1cccc(N2CCOCC2)c1
InChIKey: BMGSGGYIUOQZBZ-UHFFFAOYSA-N
分子式: C10H13NO2
平均分子量: 179.22 g/mol
単同位体質量: 179.09462866

名称と識別子

優先名称: 3-Morpholinophenol
IUPAC: 3-morpholin-4-ylphenol
現地名: 3-モルホリノフェノール
英語名: 3-Morpholinophenol
分子式: C10H13NO2
分子量: 179.22

名称と別名

3-Morpholinophenol27292-49-5DTXSID30181735RefChem:94984DTXCID70104226BMGSGGYIUOQZBZ-UHFFFAOYSA-N3-(morpholin-4-yl)phenol3-morpholin-4-ylphenol3-(4-morpholinyl)phenolm-MorpholinophenolMFCD00051675Phenol, 3-(4-morpholinyl)-

名称をさらに表示

3-モルホリノフェノール3‐モルホリノフェノール3-(モルホリン-4-イル)フェノール3-(4-モルホリニル)フェノール3-(4-モルホリニル)フェノール, 98%3-Morrin phenolCompound Fr123913-(4-MORPHOLINO)PHENOL3-MORPHOLINOBENZOICACID3-(4-Morpholinyl)phenol, 98%4-(3-Hydroxyphenyl)morpholine

3-(4-morpholinyl)-phenolSCHEMBL2260093-Morpholinophenol, AldrichCPRAKOS005067627PS-4694SY2383533-morpholino phenol3-morpholinyl-phenol

データベース識別子

CAS: 27292-49-5
PubChem CID: 141343
DTXSID: DTXSID30181735
EC Number: 608-075-7
Nikkaji: J1.966.305A

物性

構造計算による物性

XLogP: 1
極性表面積: 32.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 157

物理化学的性質

融点: 136 °C · 136 °C
沸点: 362.6 · 362.6±37.0 °C(Predicted)
比重(密度): 1.185 · 1.185±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 10.27 · 10.27±0.10(Predicted)
色: Brown
BRN: 149989 · 149989

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.