结构:Nc1cnc(Br)cn1
HCID599539

2-Amino-5-bromopyrazine

5-bromopyrazin-2-amine

C4H4BrN3174 g/molCAS 59489-71-3

IDENTITY

结构与身份

标准 SMILES
Nc1cnc(Br)cn1
InChIKey
KRRTXVSBTPCDOS-UHFFFAOYSA-N
分子式
C4H4BrN3
平均分子量
174 g/mol
单同位素质量
172.95886

COMPUTED

结构计算性质

已同步
XLogP
0.7
极性表面积
51.8 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
8
形式电荷
0
复杂度
77

GHS

GHS 分类

来源:PubChem
GHS Classification

Danger

H302 (94.2%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (78.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (78.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (19.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (15.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 8 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 (94.2%);Skin Irrit. 2 (98.1%);Skin Sens. 1 (78.8%);Eye Dam. 1 (78.8%);Eye Irrit. 2 (19.2%);STOT SE 3 (15.4%)

ALIASES

名称与别名

47
2-Amino-5-bromopyrazine59489-71-3DTXSID00344794RefChem:464537DTXCID10295869626-202-45-bromopyrazin-2-amine5-bromo-pyrazin-2-ylaminePyrazinamine, 5-bromo-MFCD002350155-Bromo-2-aminopyrazine5-bromopyrazin-2-ylamine5-Bromo-2-pyrazinamineEN300-887055-Bromo-2-pyrazinamine;2-Amino-5-bromopyrazine2-Bromo-5-aminopyrazine5-Amino-2-bromopyrazine5-bromopyrazine-2-amine2-amino-5 bromopyrazine2-amino-5-bromo-pyrazine

REACTIONS

参与反应

246
HRID94016

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

作为反应物
HRID 94016 方程式

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

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HRID113864

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

作为反应物
HRID 113864 方程式

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

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HRID117483

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

作为反应物
HRID 117483 方程式

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

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HRID138927

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

作为反应物
HRID 138927 方程式

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

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HRID144618

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

作为反应物
HRID 144618 方程式

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

查看条件与参与物