基本情報
- CAS
14711-91-2- 標準SMILES
O=[N+]([O-])c1ccc(OP2(Oc3ccc([N+](=O)[O-])cc3)=NP(Oc3ccc([N+](=O)[O-])cc3)(Oc3ccc([N+](=O)[O-])cc3)=NP(Oc3ccc([N+](=O)[O-])cc3)(Oc3ccc([N+](=O)[O-])cc3)=N2)cc1- InChIKey
XVYLTEAMNFTUEW-UHFFFAOYSA-N- 分子式
- C36H24N9O18P3
- 平均分子量
- 963.5 g/mol
名称と識別子
- 優先名称
- Hexakis(4-nitrophenoxy)cyclotriphosphazene
- IUPAC
- 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
名称と別名
NSC117814Hexakis(4-nitrophenoxy)cyclotriphosphazene14711-91-22,2,4,4,6,6-HEXAKIS-(4-NITRO-PHENOXY)-,,-(1,3,5,2,4,6)TRIAZATRIPHOSPHININESCHEMBL29568320XVYLTEAMNFTUEW-UHFFFAOYSA-NAKOS024399244NSC-117814Hexakis(4-nitrophenoxy)-cyclotriphosphazene2,2,4,4,6,6-Hexakis(4-nitrophenoxy)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
データベース識別子
- CAS
14711-91-2- PubChem CID
- 272994
- EC Number
- 688-669-0
- Nikkaji
- J1.741.396A
物性
構造計算による物性
- XLogP
- 10.7
- 極性表面積
- 367 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 21
- 回転可能結合数
- 12
- 重原子数
- 66
- 形式電荷
- 0
- 複雑度
- 1,560
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
関連反応
2 件
化合物ノート
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