ジ-TERT-ブチルりん酸テトラ-N-ブチルアンモニウム

Tetra-n-butylammonium di-tert-butylphosphate

HCID 22339116

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 68695-48-7
標準SMILES: CC(C)(C)OP(=O)([O-])OC(C)(C)C.CCCC[N+](CCCC)(CCCC)CCCC
InChIKey: ZMBZPMVMLZIOPS-UHFFFAOYSA-M
分子式: C24H54NO4P
平均分子量: 451.7 g/mol
単同位体質量: 451.37904584

名称と識別子

優先名称: Tetra-n-butylammonium di-tert-butylphosphate
IUPAC: ditert-butyl phosphate;tetrabutylazanium
現地名: ジ-TERT-ブチルりん酸テトラ-N-ブチルアンモニウム
英語名: DI-TERT-BUTYLPHOSPHATE, TETRABUTYLAMMONIUM SALT
分子式: C24H54NO4P
分子量: 451.67

名称と別名

Tetra-n-butylammonium di-tert-butylphosphateRefChem:896666870-191-068695-48-7Tetrabutylammonium di-tert-butyl phosphateMFCD12198885ditert-butyl phosphate;tetrabutylazaniumTetra-n-butylammonium Di-tert-butylphosphate(1:1.2-1.5)SCHEMBL909400DTXSID70624979ZMBZPMVMLZIOPS-UHFFFAOYSA-Mtetrabutylammonium di-t-butylphosphate

名称をさらに表示

ジ-TERT-ブチルりん酸テトラ-N-ブチルアンモニウムtetrabutylammonium saltdi-tert-butyl phosphoric acid tetra-n-butylammonium salt, tetra-n-butylammonium di-tert-butylphosphate, tetrabuthylammonium di-tert-butyl-phosphate, tetrabutylammonium di-tert-butyl phosphate, tetrabutylammonium di-tert-butylphosphate, tetrabutylammoniumDi-tert-butyl-n-butyl ammonium phosphatephosphoric aciditert-butyl estertetranbutylsaltdi-tert-butyl phosphate, di-tert-butylphosphateDI-TERT-BUTYLPHOSPHATE, TETRABUTYLAMMONIUM SALTN,N,N-tributylbutan-1-aminium di-tert-butyl phosphate

AKOS015903884ditert-butyl phosphate;tetrabutylammoniumtetrabutylammonium di-tert-butylphosphatetetrabutylazanium di-tert-butyl phosphateAS-65346SY005817tetrabutyl ammonium di-tert-butyl phosphateCS-0132208

データベース識別子

CAS: 68695-48-7
PubChem CID: 22339116
DTXSID: DTXSID70624979
EC Number: 870-191-0

物性

構造計算による物性

極性表面積: 58.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 16
重原子数: 30
形式電荷: 0
複雑度: 299

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1
InChIKey: ZMBZPMVMLZIOPS-UHFFFAOYSA-M
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.O(C(C)(C)C)P([O-])(=O)OC(C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.