tert-Butyl 3-iodobenzylcarbamate

HCID 11645663CAS 263351-43-5

基本情報

標準SMILES: CC(C)(C)OC(=O)NCc1cccc(I)c1
InChIKey: JWXVKTCSHBWQRQ-UHFFFAOYSA-N
分子式: C12H16INO2
平均分子量: 333.16 g/mol
単同位体質量: 333.02258

名称と識別子

優先名称: tert-Butyl 3-iodobenzylcarbamate
IUPAC: tert-butyl N-[(3-iodophenyl)methyl]carbamate
英語名: (3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
分子式: C12H16INO2
分子量: 333.17

名称と別名

tert-Butyl 3-iodobenzylcarbamate263351-43-5DTXSID00469976RefChem:383412DTXCID50420794Tert-butyl N-[(3-iodophenyl)methyl]carbamate(3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTERMFCD09032539tert-Butyl (3-iodobenzyl)carbamateCarbamic acid, N-[(3-iodophenyl)methyl]-, 1,1-dimethylethyl estertert-Butyl3-iodobtert-Butyl3-iodobenzylcarbamate

名称をさらに表示

1,1-Dimethylethyl N-[(3-iodophenyl)methyl]carbamate

SCHEMBL2184472SCHEMBL30732561tert-butyl-3-iodobenzylcarbamatetert-butyl(3-iodobenzyl)carbamateJWXVKTCSHBWQRQ-UHFFFAOYSA-NN-Boc-1-(3-iodophenyl)methanamineAKOS015964716DS-9013

データベース識別子

CAS: 263351-43-5
PubChem CID: 11645663
DTXSID: DTXSID00469976
EC Number: 808-764-4
Nikkaji: J1.237.724J

物性

構造計算による物性

XLogP: 3.1
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 238

物理化学的性質

貯蔵温度: 2 · 2-8°C, protect from light

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.