HCID11673249

methyl 4-iodo-1H-pyrrole-2-carboxylate

C6H6INO2251.02 g/molCAS 40740-41-8

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(I)c[nH]1
InChIKey: KRNGDJYQOKCQCD-UHFFFAOYSA-N
分子式: C6H6INO2
平均分子量: 251.02 g/mol
单同位素质量: 250.94433

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 42.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 10
形式电荷: 0
复杂度: 140

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 (100%): 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)

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

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

ALIASES

名称与别名

共 26 条

40740-41-8Methyl 4-iodo-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 4-iodo-, methyl esterDTXSID80470404RefChem:816481DTXCID10421222858-202-7Methyl 4-Iodopyrrole-2-carboxylate4-IODOPYRROLE-2-CARBOXYLIC ACID METHYL ESTERMFCD07368824methyl 4-iodo-2-pyrrolecarboxylateMethyl4-Iodopyrrole-2-carboxylate4-Iodo-1H-pyrrole-2-carboxylic acid methyl esterSCHEMBL3704774-iodo-2-methoxycarbonylpyrroleKRNGDJYQOKCQCD-UHFFFAOYSA-NQBA74041AKOS005071920BC-0819SB13923

REACTIONS