1-phenyl-1H-pyrazol-3-amine 分子结构式
HCID594320

1-phenyl-1H-pyrazol-3-amine

1-phenylpyrazol-3-amine

C9H9N3159.19 g/molCAS 1128-56-9

IDENTITY

结构与身份

标准SMILES
Nc1ccn(-c2ccccc2)n1
InChIKey
BQQFSUKXGGGGLV-UHFFFAOYSA-N
分子式
C9H9N3
平均分子量
159.19 g/mol
单同位素质量
159.0796473

COMPUTED

结构计算性质

已同步
XLogP
1.5
极性表面积
43.8 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
12
形式电荷
0
复杂度
143

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning 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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 42 条
1-Phenyl-1H-pyrazol-3-amine1128-56-9DTXSID00344077RefChem:76932DTXCID60295152858-077-9BQQFSUKXGGGGLV-UHFFFAOYSA-N1-Phenyl-1H-pyrazol-3-ylamine1-phenylpyrazol-3-amine1-Phenyl-3-aminopyrazole1H-Pyrazol-3-amine, 1-phenyl-MFCD00100520F1918-00721-phenyl-1H-pyrazole-3-amine5-amino-2-phenylpyrazoleChemDiv2_0034981-phenyl-3-pyrazolylamine1-phenyl-3-amino-pyrazole1-phenylpyrazole-3-ylamine3-amino-1-phenyl-pyrazole

REACTIONS

相关反应

13
HRID 26271 反应方程式

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HRID 26272 反应方程式

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04149005

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HRID 26273 反应方程式

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04149005

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HRID 26274 反应方程式

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04149005

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HRID 65994 反应方程式

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129738

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HRID 83487 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846746B2

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HRID 83488 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846746B2

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HRID 108663 反应方程式

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

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