HCID10602

Trinitromethane

CHN3O6151.04 g/molCAS 517-25-9

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
InChIKey: LZGVDNRJCGPNDS-UHFFFAOYSA-N
分子式: CHN3O6
平均分子量: 151.04 g/mol
单同位素质量: 150.98653476

COMPUTED

结构计算性质

已同步

XLogP: 0.2
极性表面积: 137 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 136

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

White solid; mp = 15 deg C; [Merck Index]

HAZARDS

危害信息

来源：PubChem

Hazards Summary

Causes somnolence, conjunctive irritation, corneal damage, and other cardiac and gastrointestinal changes in acute inhalation studies of cats; Causes lachrymation, general anesthesia, ataxia, dyspnea, respiratory depression, other liver changes, changes in renal tubules, and hemorrhage in acute inhalation studies of mice and rats; Causes impaired liver function tests, changes in renal tubules, emphysema, proteinuria, and changes in recordings from peripheral motor nerve in repeated-dose inhalation studies of rats; [RTECS] Decomposes above 25 deg C; A mild eye and mucous membrane irritant; [Merck Index] See Nitromethane.

DOT Hazard Classification

Trinitromethane

Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Neurotoxin - Other CNS neurotoxin；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Toxicity Data

LC50 (mouse) = 800 mg/m3/2hr

USES

用途与制造

来源：PubChem

Uses

Used to make explosives and propellants; [Merck Index]

General Manufacturing Information

Methane, trinitro-: INACTIVE

ALIASES

名称与别名

共 24 条

TrinitromethaneMethane, trinitro-NITROFORMUNII-Q5IR4EM1R0EINECS 208-236-8Q5IR4EM1R0BRN 1708361TRINITROMETHANE [MI]DTXSID30601604-01-00-00107 (Beilstein Handbook Reference)Methane, trinitroRefChem:191840DTXCID1041057208-236-8517-25-9Trinitromethane [Forbidden]nitro formSCHEMBL502161SCHEMBL3138751EX-A14975

REACTIONS

参与反应

11 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1990_02 · 10.6084/m9.figshare.5104873.v1 · US04900851

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171

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uspto-grants-1981_09 · 10.6084/m9.figshare.5104873.v1 · US04291171

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uspto-grants-1989_06 · 10.6084/m9.figshare.5104873.v1 · USH0000644

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uspto-grants-1989_06 · 10.6084/m9.figshare.5104873.v1 · USH0000644

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