结构:COC(=O)c1ccc(Cl)c(N)c1
HCID593055

Methyl 3-Amino-4-chlorobenzoate

C8H8ClNO2185.61 g/molCAS 40872-87-5

IDENTITY

结构与身份

标准 SMILES
COC(=O)c1ccc(Cl)c(N)c1
InChIKey
LOCJPOYKBUUVKU-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
2.1
极性表面积
52.3 Ų
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

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (60%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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 (20%);Acute Tox. 4 (20%);Skin Irrit. 2 (80%);Eye Irrit. 2A (80%);Acute Tox. 4 (20%);STOT SE 3 (60%)

ALIASES

名称与别名

42
Methyl 3-amino-4-chlorobenzoate40872-87-5DTXSID10343910RefChem:157440DTXCID40294986676-158-5LOCJPOYKBUUVKU-UHFFFAOYSA-N3-Amino-4-chlorobenzoic Acid Methyl EsterMFCD034705333-Amino-4-Chlorobenzoic Acid Methylesterbenzoic acid, 3-amino-4-chloro-, methyl estermethyl 3-amino-4-chloro-benzoateIntedanib Impurity 5METHYL3-AMINO-4-CHLOROBENZOATEGEW7YM92C4SCHEMBL51589IFLab1_001610SCHEMBL30391548Methyl 4-chloro-3-aminobenzoate2-Chloro-5-methoxycarbonylaniline

REACTIONS

参与反应

38
HRID109164

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

作为反应物
HRID 109164 方程式

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

查看条件与参与物
HRID193385

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

作为反应物
HRID 193385 方程式

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

查看条件与参与物