结构:CC(C)Cc1ccc(Br)cn1
HCID22392012

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

C9H12BrN214.1 g/molCAS 701934-82-9

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 Ų
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

13
5-bromo-2-(2-methylpropyl)pyridine701934-82-9RefChem:533005996-103-15-Bromo-2-isobutylpyridineSCHEMBL5344274SCHEMBL15270399VDFLEFNRQLYKCZ-UHFFFAOYSA-NBDB93482AKOS023411642DA-03422EN300-223024Z1269179231

REACTIONS

参与反应

4
HRID1136011

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

作为生成物
HRID 1136011 方程式

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

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