(R,R)-2,7-DI-Tert-butyl-9,9-dimethyl-4,5-bis(methylphenylphosphino)xanthene

HCID 11534901CAS 221462-97-1

基本情報

標準SMILES: CC(C)(C)c1cc(P(c2ccccc2)c2ccccc2)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(P(c3ccccc3)c3ccccc3)c1O2
InChIKey: KDKJDGIJQNFICS-UHFFFAOYSA-N
分子式: C47H48OP2
平均分子量: 690.8 g/mol
単同位体質量: 690.31804015

名称と識別子

優先名称: (R,R)-2,7-DI-Tert-butyl-9,9-dimethyl-4,5-bis(methylphenylphosphino)xanthene
IUPAC: (2,7-ditert-butyl-5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
英語名: (R,R)-2,7-Di-tert-butyl-9,9-dimethyl-4,5-bis(methylphenylphosphino)xanthene
分子式: C47H48OP2
分子量: 690.83

名称と別名

RefChem:407490986-954-7(R,R)-2,7-DI-Tert-butyl-9,9-dimethyl-4,5-bis(methylphenylphosphino)xanthene221462-97-1[2,7-Di(tert-butyl)-9,9-dimethylxanthene-4,5-diyl]bis(diphenylphosphine)SCHEMBL708320KDKJDGIJQNFICS-UHFFFAOYSA-NSY039141CS-02032593-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene-9,9-dimethyL

名称をさらに表示

-9H-xanthene-4,5-diyL4,5-DIPHENYLPHOSPHINO-2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE4,5-Diphenylphosphino-2,7-di-tert-butyl-9,9-dimethoxyxanthene4,5-Bis(diphenylphosphino)-2,7-di-tert-butyl-9,9-dimethylxanthene2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-BIS(METHYLPHENYLPHOSPHINO)XANTHENE(S,S)-2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-BIS(METHYLPHENYLPHOSPHINO)XANTHENE(2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)Phosphine, 1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl-

データベース識別子

CAS: 221462-97-1
PubChem CID: 11534901
EC Number: 986-954-7
Nikkaji: J1.125.014I

物性

構造計算による物性

XLogP: 13
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 8
重原子数: 50
形式電荷: 0
複雑度: 944

物理化学的性質

融点: 194 · 194-195 °C(Solv: toluene (108-88-3); ethanol (64-17-5))
沸点: 701.4 · 701.4±60.0 °C(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

化学と産業

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