HCID78878

Methyl 2-amino-5-chlorobenzoate

C8H8ClNO2185.61 g/molCAS 5202-89-1

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Cl)ccc1N
InChIKey: IGHVUURTQGBABT-UHFFFAOYSA-N
分子式: C8H8ClNO2
平均分子量: 185.61 g/mol
单同位素质量: 185.0243562

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 52.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 174

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 47 reports by companies from 7 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

ALIASES

名称与别名

共 45 条

Methyl 2-amino-5-chlorobenzoateMethyl 5-chloroanthranilateBenzoic acid, 2-amino-5-chloro-, methyl esterAnthranilic acid, 5-chloro-, methyl esterEINECS 225-992-4Methyl-5-chloroanthranilateDTXSID90199992RefChem:157292DTXCID50122483225-992-4IGHVUURTQGBABT-UHFFFAOYSA-N5202-89-1Methyl2-amino-5-chlorobenzoate2-Amino-5-chlorobenzoic Acid Methyl EsterMFCD000078375-Chloroanthranilic Acid Methyl Estermethyl 2-amino-5-chloro-benzoateUKY5UG6NDXmethyl 5-chloro-anthranilateBIDD:GT0588

REACTIONS

参与反应

59 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

HRID116084

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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HRID294002

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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HRID296358

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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HRID321689

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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HRID425963

uspto-grants-2012_01

作为反应物

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106190B2

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HRID448114

uspto-grants-2013_07

作为反应物

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08481579B2

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HRID653707

uspto-grants-1992_07

作为反应物

uspto-grants-1992_07 · 10.6084/m9.figshare.5104873.v1 · US05128356

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HRID662271

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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