HCID11348

3,4-Dinitrophenol

C6H4N2O5184.11 g/molCAS 577-71-9

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]
InChIKey: AKLOLDQYWQAREW-UHFFFAOYSA-N
分子式: C6H4N2O5
平均分子量: 184.11 g/mol
单同位素质量: 184.01202123

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 112 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 0
重原子: 13
形式电荷: 0
复杂度: 220

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Phenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls

Hazard Classes and Categories

Expl. 1.1 (50%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Chronic 2 (100%)

Acute toxicity - category 3；Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 3 *；Acute Tox. 3 *；Acute Tox. 3 *；STOT RE 2 *；Aquatic Chronic 2

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Phenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls

ALIASES

名称与别名

共 36 条

3,4-DINITROPHENOLPhenol, 3,4-dinitro-3,4-Dinitrofenol3,4-DNP6,5-DinitrophenolCCRIS 31053,4-Dinitrofenol [Czech]EINECS 209-415-3BRN 1969398UNII-I108F156M4I108F156M4CHEBI:39358DTXSID80206407PHENOL, .DELTA.-DINITRO-4-06-00-01384 (Beilstein Handbook Reference)RefChem:91233PHENOL, DELTA-DINITRO-DTXCID40128898209-415-3AKLOLDQYWQAREW-UHFFFAOYSA-N

REACTIONS

参与反应

19 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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