5-Iodo-1H-indole, N-BOC protected

HCID 16125958CAS 374818-66-3

基本情報

標準SMILES: CC(C)(C)OC(=O)n1ccc2cc(I)ccc21
InChIKey: RMYVMKHVFXTKPF-UHFFFAOYSA-N
分子式: C13H14INO2
平均分子量: 343.16 g/mol
単同位体質量: 343.00692669

名称と識別子

優先名称: 5-Iodo-1H-indole, N-BOC protected
IUPAC: tert-butyl 5-iodoindole-1-carboxylate
英語名: 5-Iodo-1H-indole, N-BOC protected
分子式: C13H14INO2
分子量: 343.16

名称と別名

5-Iodo-1H-indole, N-BOC protectedRefChem:536314807-078-2374818-66-3tert-Butyl 5-iodo-1H-indole-1-carboxylate1-BOC-5-iodoindoletert-butyl 5-iodoindole-1-carboxylateMFCD09258644SCHEMBL669390Tert-butyl5-iodo-1H-indole-1-carboxylateDTXSID105831171-Boc-5-iodo-1H-indole

名称をさらに表示

5-Iodo-1H-indole,N-BOCprotected97%5-Iodo-1H-indole, N-BOC protected 97%1H-Indole-1-carboxylic acid, 5-iodo-, 1,1-diMethylethyl estertert-Butyl 5-iodo-1H-indole-1-carboxylate, 1-(tert-Butoxycarbonyl)-5-iodo-1H-indole

5-Iodo-1H-indole,N-boc protectedZPA818661-(tert-butoxycarbonyl)-5-iodoindoleAKOS015837007AS-17977SY423143CS-0212134D86135

データベース識別子

CAS: 374818-66-3
PubChem CID: 16125958
DTXSID: DTXSID10583117
EC Number: 807-078-2
Nikkaji: J2.967.764F

物性

構造計算による物性

XLogP: 3.9
極性表面積: 31.2 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: 2
重原子数: 17
形式電荷: 0
複雑度: 300

物理化学的性質

沸点: 388.4 · 388.4±34.0 °C(Predicted)
比重(密度): 1.56 · 1.56±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
色: off white

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.