CAS 224323-51-7 4-(2-Fluoro-4-isocyanatophenyl)morpholine (HCID 11009538)

基本情報

CAS: 224323-51-7
標準SMILES: O=C=Nc1ccc(N2CCOCC2)c(F)c1
InChIKey: JFYQLZHULWIALT-UHFFFAOYSA-N
分子式: C11H11FN2O2
平均分子量: 222.22 g/mol
単同位体質量: 222.08045581

名称と識別子

優先名称: 4-(2-Fluoro-4-isocyanatophenyl)morpholine
IUPAC: 4-(2-fluoro-4-isocyanatophenyl)morpholine
現地名: (3-フルオロ-4-(モルホリニル)フェニル)イソシアン酸
英語名: (3-fluoro-4-(Morpholinyl)phenyl)isocyanate
分子式: C11H11FN2O2
分子量: 222.22

名称と別名

224323-51-74-(2-Fluoro-4-isocyanatophenyl)morpholineRefChem:97054961-935-6(3-fluoro-4-(morpholinyl)phenyl)isocyanateMFCD23381074C11H11FN2O2Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-4-(2-fluoro-4-isocyanato-phenyl)morpholineSCHEMBL2586326JFYQLZHULWIALT-UHFFFAOYSA-NDTXSID601269132

名称をさらに表示

(3-フルオロ-4-(モルホリニル)フェニル)イソシアン酸3-フルオロ-4-モルホリノフェニルイソシアナート4-(2-フルオロ-4-イソシアナトフェニル)モルホリンLinezolid Impurity 1082-(2-Fluoro-4-isocyanatophenyl)morpholine4-(2-Fluoro-4-isocyanatophenyl)morpholinee3-fluoro-4-(morpholin-4-yl)-phenyl isocyanate3-fluoro-4-(4'-morpholinyl)-1-phenyl isocyanate

3-Fluoro4-morpholinylphenylisocyanate3-Fluoro-4-MorpholinylphenylisocyanateAKOS028108837AS-332283-Fluoro-4-(morpholinyl)phenyl isocyanateDB-289876EN300-7402844F467194

データベース識別子

CAS: 224323-51-7
PubChem CID: 11009538
DTXSID: DTXSID601269132
EC Number: 961-935-6
Nikkaji: J3.527.271B

物性

構造計算による物性

XLogP: 2.6
極性表面積: 41.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 275

物理化学的性質

InChI: InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey: JFYQLZHULWIALT-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(N=C=O)C=C2F)CCOCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.