(4-シアノベンジル)ホスホン酸ジエチル

Diethyl (4-Cyanobenzyl)phosphonate

HCID 241438

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1552-41-6
標準SMILES: CCOP(=O)(Cc1ccc(C#N)cc1)OCC
InChIKey: MFXWOYIWKNJHPC-UHFFFAOYSA-N
分子式: C12H16NO3P
平均分子量: 253.23 g/mol
単同位体質量: 253.08678

名称と識別子

優先名称: Diethyl (4-Cyanobenzyl)phosphonate
IUPAC: 4-(diethoxyphosphorylmethyl)benzonitrile
現地名: (4-シアノベンジル)ホスホン酸ジエチル
英語名: (4-Cyanobenzyl)phosphonic acid diethyl ester
分子式: C12H16NO3P
分子量: 253.23

名称と別名

Diethyl (4-Cyanobenzyl)phosphonateDTXSID50287061RefChem:587020DTXCID40238209605-002-01552-41-6diethyl 4-cyanobenzylphosphonate4-(diethoxyphosphorylmethyl)benzonitrile(4-Cyanobenzyl)phosphonic Acid Diethyl EsterMFCD082744884-(Diethylphosphonomethyl)benzonitrilediethyl (4-cyanophenyl)methylphosphonate

名称をさらに表示

(4-シアノベンジル)ホスホン酸ジエチル4-(ジエチルホスホノメチル)ベンゾニトリル(4-cyanobenzyl)diethylphosphiteDiethyl(4-Cyanobenzyl)phosphonate>4-(DIETHYLPHOSPHONOMETHYL)BENZONITRILEDiethyl(4-cyanophenyl)methylphosphonateDiethyl P-[(4-cyanophenyl)methyl]phosphonate4-(diethoxyphosphorylmethyl)benzenecarbonitrile

SCHEMBL578310Phosphonic acid, P-[(4-cyanophenyl)methyl]-, diethyl esterdiethyl-p-cyanobenzyl phosphonateBP-12171CS-0205251T70338NSC48805Phosphonic acid, [(4-cyanophenyl)methyl]-, diethyl ester

データベース識別子

CAS: 1552-41-6
PubChem CID: 241438
DTXSID: DTXSID50287061
EC Number: 605-002-0
Nikkaji: J517.199G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 59.3 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: 6
重原子数: 17
形式電荷: 0
複雑度: 305

物理化学的性質

融点: 31 °C · 31 °C
沸点: 169 °C · 169 °C
貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.