三酸化硫黄 - トリエチルアミンコンプレックス

Sulfur trioxide triethylamine complex

HCID 222301CAS 761-01-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(CC)CC.O=S(=O)=O
InChIKey: YYHPEVZFVMVUNJ-UHFFFAOYSA-N
分子式: C6H15NO3S
平均分子量: 181.26 g/mol
単同位体質量: 181.07726434

名称と識別子

優先名称: Sulfur trioxide triethylamine complex
IUPAC: N,N-diethylethanamine;sulfur trioxide
現地名: 三酸化硫黄 - トリエチルアミンコンプレックス
英語名: Sulfur trioxide-triethylamine complex
分子式: C6H15N.O3S
分子量: 181.25

名称と別名

DTXSID90278539RefChem:1099228DTXCID40229697761-01-3N,N-diethylethanamine;sulfur trioxideMFCD00043315N,N-diethylethanamine; sulfur trioxideNSC8168NSC 8168NSC 68185Et3N.SO3triethylamine sulphur trioxide

名称をさらに表示

三酸化硫黄 - トリエチルアミンコンプレックストリエチルアミン - 三酸化硫黄コンプレックスTriethylAmine Sulfur Trioxidefur trioxide triethyLTriethylammonium trioxide copolymerTRIETHYLAMINE-SULFUR TRIOXIDE COMPLEXSulfur trioxide-triethylamine complexsulfurtrioxidetriethylaminecomplex95+%N,N-diethylethanamine - oxosulfane dioxide (1:1)

SCHEMBL284131orb3023441NSC-8168NSC68185NSC-68185TN9579N,N-Diethylethanamine sulfur trioxideFS61304

データベース識別子

CAS: 761-01-3
PubChem CID: 222301
DTXSID: DTXSID90278539
EC Number: 629-333-5

物性

構造計算による物性

極性表面積: 55.5 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: 3
重原子数: 11
形式電荷: 0
複雑度: 87.5

物理化学的性質

融点: 85 °C · ~85 °C
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 3993165 · 3993165
InChI: InChI=1S/C6H15N.O3S/c1-4-7(5-2)6-3;1-4(2)3/h4-6H2,1-3H3;
InChIKey: YYHPEVZFVMVUNJ-UHFFFAOYSA-N
SMILES: S(=O)(=O)=O.N(CC)(CC)CC

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

F: 3-10-21
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29211990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II

化学と産業

応用分野 · 1 件

使用Reactant for reagent for synthesis of:Anticoagulant and antiplatelet persulfated glycosides or flavonoids containing an oligopolysulfated moietyNarciclasine derivatives for use as anticancer agentsSulfate-conjugated methylprednisolone for use as a colon-specific prodrugTetrasaccharide substrates of heparanase by glycosylation of disaccharidesSynthetic heparin oligosaccharide microarrays for analysis of heparin-protein interactionsDexamethasone 21-sulfate sodium for use as a colon-specific prodrug

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