HCID22392012

5-Bromo-2-(2-methylpropyl)pyridine

C9H12BrN214.1 g/molCAS 701934-82-9

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)Cc1ccc(Br)cn1
InChIKey: VDFLEFNRQLYKCZ-UHFFFAOYSA-N
分子式: C9H12BrN
平均分子量: 214.1 g/mol
单同位素质量: 213.01531

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 12.9 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 114

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 13 条

5-bromo-2-(2-methylpropyl)pyridine701934-82-9RefChem:533005996-103-15-Bromo-2-isobutylpyridineSCHEMBL5344274SCHEMBL15270399VDFLEFNRQLYKCZ-UHFFFAOYSA-NBDB93482AKOS023411642DA-03422EN300-223024Z1269179231

REACTIONS

参与反应

4 条

uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07312334B2

查看

uspto-grants-2005_06 · 10.6084/m9.figshare.5104873.v1 · US06909002B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

uspto-grants-2004_01 · 10.6084/m9.figshare.5104873.v1 · US06677351B2

查看