HCID161830

4,5-Dibromo-2-Pyrrolic Acid

4,5-dibromo-1H-pyrrole-2-carboxylic acid

C5H3Br2NO2268.89 g/molCAS 34649-21-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc(Br)c(Br)[nH]1
InChIKey: ZUROCNHARMFRKA-UHFFFAOYSA-N
分子式: C5H3Br2NO2
平均分子量: 268.89 g/mol
单同位素质量: 266.85305

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 53.1 Å²
氢键供体: 2
氢键受体: 2
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 35 条

4,5-dibromo-1H-pyrrole-2-carboxylic acid34649-21-3DBPA4,5-Dibromo-2-pyrrolic acid1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-DTXSID40188210RefChem:96441DTXCID70110701987-448-9MFCD013482294,5-DIBROMO-1H-PYRROLE-2-CARBOXYLICACIDCHEMBL397590orb1296828orb1940069SCHEMBL1518075ZUROCNHARMFRKA-UHFFFAOYSA-NJBA64921NSC320005TN71724,5-dibromopyrrole-2-carboxylic acid

REACTIONS

参与反应

27 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

HRID443314

uspto-grants-1999_04

作为反应物

uspto-grants-1999_04 · 10.6084/m9.figshare.5104873.v1 · US05895522

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HRID581171

uspto-grants-1999_07

作为反应物