Basic information
- CAS
656233-53-3- Standard SMILES
c1ccc(OP2Oc3cccc4c3C3(CC4)CCc4cccc(c43)O2)cc1- InChIKey
OMMDWENZXWXERJ-UHFFFAOYSA-N- Molecular formula
- C23H19O3P
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.10718146
Names & identifiers
- Preferred name
- (R)-ShiP
- IUPAC
- 12-phenoxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
- English name
- (11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-phenoxy
- Molecular formula
- C23H19O3P
- Molecular weight
- 374.37
Names & synonyms
(R)-ShiP656233-53-3RefChem:407447636-251-3885701-71-3(11aS)-(-)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-phenoxy12-phenoxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine1119754-16-3(11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-phenoxyMFCD08459341Diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, 10,11,12,13-tetrahydro-5-phenoxy-(11aR)-10,11,12,13-Tetrahydro-5-phenoxy-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin
Show more names
(S)-SHIP1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-PHENOXYPHENYL-[(S)-1,1-SPIROBIINDANE-7,7-DIYL]-PHOSPHITEPHENYL-[(R)-1,1-SPIROBIINDANE-7,7-DIYL]-PHOSPHITEPhenyl-[(R)-1,1-spirobiindane-7,7-diyl]-phosphite ,97%Phenyl-[(R)-1,1′-spirobiindane-7,7′-diyl]-phosphite((R)-ShiP)(R)-12-phenoxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
10,11,12,13-Tetrahydro-5-phenoxydiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin(11AR)-10,11,12,13-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-phenoxy12-phenoxy-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocineSCHEMBL14929540C23H19O3PAKOS015950895AKOS025295602SY078002
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Physicochemical properties
- Melting point
- 104 · 104-106°C
- Boiling point
- 454.8 · 454.8±45.0 °C(Predicted)
- alpha
- 216 ° · +216° (c 0.5, CH2Cl2)
- storage temp.
- -20 °C, · -20°C, protect from light, stored under nitrogen
- form
- solid
- color
- white
- Sensitive
- moisture sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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