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

HCID 11534901CAS 221462-97-1
Substructure searchFind similar structures

Basic information

Standard 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
Molecular formula
C47H48OP2
Average molar mass
690.8 g/mol
Monoisotopic mass
690.31804015

Names & identifiers

Preferred name
(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
English name
(R,R)-2,7-Di-tert-butyl-9,9-dimethyl-4,5-bis(methylphenylphosphino)xanthene
Molecular formula
C47H48OP2
Molecular weight
690.83

Names & synonyms

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
Show more names
-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-

Database identifiers

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

Properties

Computed structural properties

XLogP
13
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
8
Heavy atoms
50

Physicochemical properties

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Chemistry & industry

Suppliers12 total

利兹化工（上海）有限公司021-57620989 13601674297 · [email protected]
上海颐碳化学科技有限公司13774412103 · [email protected]
新乡市润宇新材料科技有限公司166-166-37336996 15690792173 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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