2，4，8，10-テトラ-tert-ブチル-6-フルオロ-12-メチル-12H-ジベンゾ［d，g］［1，3，2］ジオキサホスホシン

1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocine

HCID 86348CAS 118337-09-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(F)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C
InChIKey: MYMKXVFDVQUQLG-UHFFFAOYSA-N
分子式: C30H44FO2P
平均分子量: 486.6 g/mol
単同位体質量: 486.3062958

名称と識別子

優先名称: 1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocine
IUPAC: 1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
現地名: 2，4，8，10-テトラ-tert-ブチル-6-フルオロ-12-メチル-12H-ジベンゾ［d，g］［1，3，2］ジオキサホスホシン
英語名: 2 2'-Ethylidenebis(4 6-di-tert-butyl-
分子式: C30H44FO2P
分子量: 486.64

名称と別名

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine12H-Dibenzo(d,g)(1,3,2)dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-1,3,7,9-tetratert-butyl-11-fluoro-5-methyl-5H-benzo(d)(1,3,2)benzodioxaphosphocineRefChem:412787403-020-1118337-09-02,4,8,10-Tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-12H-Dibenzo[d,g][1,3,2]dioxaphosphocin2,4,8,10-Tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-12H-dibenzo(d,g)(1,3,2)dioxaphosphocinSCHEMBL39043DTXSID6073075SCHEMBL29372287

名称をさらに表示

2，4，8，10-テトラ-tert-ブチル-6-フルオロ-12-メチル-12H-ジベンゾ［d，g］［1，3，2］ジオキサホスホシン2,4,8,10-テトラ-tert-ブチル-6-フルオロ-6,7-ジヒドロ-12-メチル-5,7-ジオキサ-6-ホスファ-5H,12H-ジベンゾ[a,d]シクロオクテン12-メチル-2,4,8,10-テトラ-tert-ブチル-6-フルオロ-12H-ジベンゾ[d,g][1,3,2]ジオキサホスホシン2,2′-エチリデンビス(4,6-ジ-tert-ブチルフェノキシ)フルオロホスフィン2,4,8,10-テトラキス(1,1-ジメチルエチル)-6-フルオロ-12-メチル-12H-ジベンゾ[d,g][1,3,2]ジオキサホスホシン5,7,13,15-テトラ-tert-ブチル-10-フルオロ-2-メチル-9,11-ジオキサ-10-ホスファトリシクロ[10.4.0.03,8]ヘキサデカ-1(12),3,5,7,13,15-ヘキサエンエタノックス398CL089fluoro-12-methyl-2 2'-Ethylidenebis(4 6-di-tert-butyl-2,2'-ethylidenebis(4,6-di-tert-butyl-phenyl) fluo2,2-Ethylidenebis(4,6-di-tert-butylphenyl) fluorophosphiteg][1,3,2]dioxaphosphocin,2,4,8,10-tetrakis(1,1-dimethylethyl)-6-12h-dibenzo[12H-Dibenzod,g1,3,2dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-

AKOS015912513DB-239490NS000113842,2'-ethylidenebis(4,6-di-tert-butylphenyl) fluorophosphite2,4,8,10-Tetra-tert-butyl-6-fluoro-12-methyl-6H,12H-dibenzo[d,g][1,3,2]dioxaphosphocine

データベース識別子

CAS: 118337-09-0
PubChem CID: 86348
DTXSID: DTXSID6073075
EC Number: 403-020-1、688-151-4
Nikkaji: J690.341J

物性

構造計算による物性

XLogP: 11.2
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 34
形式電荷: 0
複雑度: 637

物理化学的性質

融点: 201 · 201-203 °C(lit.)
沸点: 451.2 · 451.2±55.0 °C(Predicted)
EPAの化学物質情報: 12 H-Dibenzo[d,g][1,3,2]dioxaphosphocin, · 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl- (118337-09-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5079

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesResp. Sens. 1 (100%)

法規制情報

Regulatory Information · 3 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5079

12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-fluoro-12-methyl-: ACTIVE

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