HCID53424429

2-Chloro-1-methyl-1H-imidazole-5-carboxylic acid

2-chloro-3-methylimidazole-4-carboxylic acid

C5H5ClN2O2160.56 g/molCAS 869002-61-9

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IDENTITY

结构与身份

标准 SMILES: Cn1c(C(=O)O)cnc1Cl
InChIKey: XSMYIPIZQODQQW-UHFFFAOYSA-N
分子式: C5H5ClN2O2
平均分子量: 160.56 g/mol
单同位素质量: 160.0039551

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 55.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 10
形式电荷: 0
复杂度: 153

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

869002-61-92-CHLORO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLIC ACIDDTXSID20698509RefChem:258346DTXCID20649258891-777-22-CHLORO-3-METHYLIMIDAZOLE-4-CARBOXYLIC ACID2-CHLORO-3-METHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACIDMFCD10696274SCHEMBL3400738XSMYIPIZQODQQW-UHFFFAOYSA-NUJB00261AKOS006305538AB56929AT20498DB-355574CS-02450442-chloro-3-methyl-imidazole-4-carboxylic acidEN300-2985552-CHLORO-1-METHYL-1H-IMIDAZOLE-5-CARBOXYLICACID

REACTIONS

参与反应

2 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

HRID12448

uspto-grants-2010_06

作为反应物

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728009B1

查看条件与参与物

HRID939227

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

作为反应物

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

查看条件与参与物