5-Bromo-7-methyl-1H-indazole 分子结构式
HCID1382033

5-Bromo-7-methyl-1H-indazole

C8H7BrN2211.06 g/molCAS 156454-43-2

IDENTITY

结构与身份

标准SMILES
Cc1cc(Br)cc2cn[nH]c12
InChIKey
OUNQFZFHLJLFAR-UHFFFAOYSA-N
分子式
C8H7BrN2
平均分子量
211.06 g/mol
单同位素质量
209.97926

COMPUTED

结构计算性质

已同步
XLogP
2.6
极性表面积
28.7 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
11
形式电荷
0
复杂度
151

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (13.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, 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 45 reports by companies from 4 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 (88.9%);Skin Irrit. 2 (13.3%);Eye Irrit. 2A (13.3%);STOT SE 3 (13.3%)

ALIASES

名称与别名

共 29 条
5-bromo-7-methyl-1H-indazole156454-43-2DTXSID70362546RefChem:533922DTXCID90313595633-894-11H-Indazole, 5-bromo-7-methyl-MFCD039904845-Bromo-7-methylindazoleMLS000729257SCHEMBL1145088CHEMBL1498775SCHEMBL13884874HMS2737F16CS-M0324SBB002553STK779352AKOS0050723775-Bromo-7-methyl-1H-indazole, 97%AB16895

REACTIONS

参与反应

14
HRID 311298 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看
HRID 469305 反应方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629137B2

查看
HRID 469361 反应方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629137B2

查看
HRID 501929 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772244B2

查看
HRID 899412 反应方程式

uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07354944B2

查看
HRID 1177691 反应方程式

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07842808B2

查看
HRID 1353519 反应方程式

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07220862B2

查看
HRID 2074477 反应方程式

uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07919514B2

查看