基本情報
- CAS
8066-33-9- 標準SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]- InChIKey
HZTVIZREFBBQMG-UHFFFAOYSA-N- 分子式
- C12H13N7O18
- 平均分子量
- 543.27 g/mol
- 単同位体質量
- 543.03170658
概要
See also: Pentolite, (dry) (annotation moved to).
名称と識別子
- 優先名称
- Pentolite
- IUPAC
- 2-methyl-1,3,5-trinitrobenzene;[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
名称と別名
PentoliteRefChem:860065Anzomex PowerPlus PPETN / TNTUN01518066-33-9Pentolite, dry or wetted with <15% water, by massPentolite, dry or wetted with <15% water, by mass [UN0151] [Explosive 1.1D]1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester), mixt. with 2-methyl-1,3,5-trinitrobenzenetnt-petn1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester), mixt. with 2-methyl-1,3,5-trinitrobenzenePETN TNT
名称をさらに表示
SCHEMBL29689583HZTVIZREFBBQMG-UHFFFAOYSA-NDTXSID7010013992,2-Bis[(nitrooxy)methyl]propane-1,3-diyl dinitrate--2-methyl-1,3,5-trinitrobenzene (1/1)
データベース識別子
- CAS
8066-33-9- PubChem CID
- 56841779
- DTXSID
DTXSID701001399
物性
構造計算による物性
- 極性表面積
- 358 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 18
- 回転可能結合数
- 8
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 602
安全と法規制
危険有害性情報
DOT Hazard Classification
Pentolite, dry or wetted with less than 15 percent water, by mass
UN0151
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
DHS Chemicals of Interest (COI)
Pentolite
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
法規制情報
DHS Chemicals of Interest (COI)
Pentolite
A Commercial Grade
5000
A Commercial Grade
400
Explosive chemical that can be released at a facility.
関連反応
1 件
化合物ノート
読み込み中…