CAS No.37002-48-5,(+)-DIOP Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37002-48-5
Name:	(+)-DIOP
Article Data:	4

Formula:	C₃₁H₃₂O₂P₂
Molecular Weight:	498.541
Synonyms:	Phosphine,[[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)]bis[diphenyl-(9CI);(+)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane;(+)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane;(+)-DIOP;(4S,5S)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane;(S)-DIOP;(S,S)-4,5-Bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane;(S,S)-DIOP;DIOP, (+)-;[[(4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)]bis[diphenylphosphine];
EINECS:	253-307-9
Melting Point:	86-88 °C(lit.)
Boiling Point:	590.3 °C at 760 mmHg
Flash Point:	390.9 °C
Solubility:	Sparingly soluble in water at 25°C 2.1E-5 g/L.
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	45.64000
LogP:	5.77230

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Specification

The Phosphine,1,1'-[[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)]bis[1,1-diphenyl-, with the CAS registry number 37002-48-5 and EINECS registry number 253-307-9, has the systematic name of [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethanediyl]bis(diphenylphosphane). It is a kind of air sensitive chemical, and belongs to the following product categories: Phosphine Ligands; Asymmetric Synthesis; Dioxanes & Dioxolanes; Dioxolanes; Synthetic Organic Chemistry. And the molecular formula of the chemical is C₃₁H₃₂O₂P₂. What's more, it should be stored in 0-6°C.

The characteristics of Phosphine,1,1'-[[(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl]bis(methylene)]bis[1,1-diphenyl- are as followings: (1)ACD/LogP: 9.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.08; (4)ACD/LogD (pH 7.4): 9.08; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2065373.63; (8)ACD/KOC (pH 7.4): 2065373.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 45.64 Å²; (13)Flash Point: 390.9 °C; (14)Enthalpy of Vaporization: 84.82 kJ/mol; (15)Boiling Point: 590.3 °C at 760 mmHg; (16)Vapour Pressure: 2.75E-13 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O3C(CP(c1ccccc1)c2ccccc2)C(OC3(C)C)CP(c4ccccc4)c5ccccc5
(2)InChI: InChI=1/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3
(3)InChIKey: VCHDBLPQYJAQSQ-UHFFFAOYAQ