HCID20496236

5-Amino-6-chloropyridine-3-carboxylic acid

C6H5ClN2O2172.57 g/molCAS 72587-17-8

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IDENTITY

结构与身份

标准SMILES: Nc1cc(C(=O)O)cnc1Cl
InChIKey: SXZWNLGHSKAIMC-UHFFFAOYSA-N
分子式: C6H5ClN2O2
平均分子量: 172.57 g/mol
单同位素质量: 172.0039551

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 76.2 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 165

GHS

GHS分类

来源：PubChem

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

来源：PubChem

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 20 条

72587-17-85-amino-6-chloropyridine-3-carboxylic acidRefChem:532361972-357-95-AMINO-6-CHLORONICOTINIC ACIDMFCD18259039SCHEMBL11188300SXZWNLGHSKAIMC-UHFFFAOYSA-NXCA587175-AMINO-6-CHLORONICOTINICACIDAKOS024261623AB75265BS-29323DA-38008SY1452145-amino-6-chloro-pyridine-3-carboxylic acidCS-0211875E78592EN300-122937F458987

REACTIONS

参与反应

4 条

uspto-grants-1981_10 · 10.6084/m9.figshare.5104873.v1 · US04294969

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1983_07 · 10.6084/m9.figshare.5104873.v1 · US04393212

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uspto-grants-1981_07 · 10.6084/m9.figshare.5104873.v1 · US04279913

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