5-Bromo-2-methylpyrimidine 分子结构式
HCID14387744

5-Bromo-2-methylpyrimidine

C5H5BrN2173.01 g/molCAS 7752-78-5

IDENTITY

结构与身份

标准SMILES
Cc1ncc(Br)cn1
InChIKey
NEDJTEXNSTUKHW-UHFFFAOYSA-N
分子式
C5H5BrN2
平均分子量
173.01 g/mol
单同位素质量
171.96361

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
25.8 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
68

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (71.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (57.1%): 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 7 reports by companies from 6 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 (57.1%);Skin Irrit. 2 (71.4%);Eye Irrit. 2A (71.4%);STOT SE 3 (57.1%)

ALIASES

名称与别名

共 28 条
5-Bromo-2-methylpyrimidine7752-78-5DTXSID00559684RefChem:301720DTXCID70510464691-361-95-Bromo-2-methyl-pyrimidinePYRIMIDINE, 5-BROMO-2-METHYL-MFCD073751432-Methyl-5-bromopyrimidineSCHEMBL508361SCHEMBL1422023SCHEMBL4925916NEDJTEXNSTUKHW-UHFFFAOYSA-NALBB-018049AKOS005258596CS-W004845FB15629PB18804PS-5538

REACTIONS

参与反应

37
HRID 60116 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440969B2

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HRID 87019 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 108844 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 150359 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 284058 反应方程式

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

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HRID 383261 反应方程式

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367663B2

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HRID 474738 反应方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637536B2

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HRID 705973 反应方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09174968B2

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