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结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1
HCID16217971

6-(Di-Boc-amino)-2-bromopyridine

tert-butyl N-(6-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H21BrN2O4373.24 g/molCAS 870703-61-0
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IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1
InChIKey
MRXCEYKGPXZUBZ-UHFFFAOYSA-N
分子式
C15H21BrN2O4
平均分子量
373.24 g/mol
单同位素质量
372.06847

COMPUTED

结构计算性质

已同步
XLogP
4.1
极性表面积
68.7 Ų
氢键供体
0
氢键受体
5
可旋转键
5
重原子
22
形式电荷
0
复杂度
387

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

ALIASES

名称与别名

共 20 条
6-(Di-Boc-amino)-2-bromopyridineRefChem:539654626-757-2870703-61-0Di-tert-butyl 6-bromopyridin-2-ylimidodicarbonateMFCD07784371N,N-Bis-tert-butoxycarbonyl6-bromopyridin-2-aminetert-butyl N-(6-bromopyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamateSCHEMBL943797DTXSID10584689MRXCEYKGPXZUBZ-UHFFFAOYSA-NAKOS000279076FS-48436-(Di-Boc-amino)-2-bromopyridine, 96%CS-0092835D85815Di-tert-butyl6-bromopyridin-2-ylimidodicarbonateDi-tert-butyl (6-bromopyridin-2-yl)-2-imidodicarbonatetert-butyl (6-bromopyridin-2-yl)(tert-butoxycarbonyl)carbamatetert-butyl N-(6-bromo-2-pyridyl)-N-tert-butoxycarbonyl-carbamate

REACTIONS

参与反应

1 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂