HCID820890

Methyl 4-Chloropicolinate

methyl 4-chloropyridine-2-carboxylate

C7H6ClNO2171.58 g/molCAS 24484-93-3

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Cl)ccn1
InChIKey: VTENWIPSWAMPKI-UHFFFAOYSA-N
分子式: C7H6ClNO2
平均分子量: 171.58 g/mol
单同位素质量: 171.0087061

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 39.2 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 151

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 33 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

Skin Irrit. 2 (97%)；Eye Irrit. 2 (100%)；STOT SE 3 (93.9%)

ALIASES

名称与别名

共 42 条

24484-93-3Methyl 4-ChloropicolinateDTXSID20356253RefChem:355677DTXCID30307312677-529-4methyl 4-chloropyridine-2-carboxylate4-Chloro-pyridine-2-carboxylic acid methyl ester2-PYRIDINECARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER4-Chloro-2-pyridinecarboxylic Acid Methyl Estermethyl 4-chloro-2-pyridinecarboxylate4-Chloropicolinic Acid Methyl EsterMFCD041161834-Chloropyridine-2-carboxylic acid methyl esterMethyl4-chloropicolinateSS4GRT8SQE4-Chloro-pyridine-2-carboxylicacidmethylesterSCHEMBL177762SCHEMBL4927916SCHEMBL30142073

REACTIONS

参与反应

38 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID43752

uspto-grants-2013_09

作为反应物

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536197B2

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HRID104203

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

作为反应物

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

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HRID122887

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

作为反应物

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

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HRID162381

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

作为反应物

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

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HRID194052

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID200133

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID303429

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

作为反应物

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

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HRID399478

uspto-grants-1998_10

作为反应物

uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05821246

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