Copper bis(trimethylphosphine)(tetrahydroborate) (16903-61-0)

The Bis-(triphenylphosphino)-cuprous borohydride with the CAS number 16903-61-0 is also called Copper,[tetrahydroborato(1-)-kH,kH']bis(triphenylphosphine)-,(T-4)-. The systematic name is boron(-1) tetrahydride anion; copper; triphenylphosphane. Its molecular formula is 2(C₁₈H₁₅P)^.Cu^.BH₄. The EINECS registry number is 240-951-0. This chemical belongs to the following product categories: (1)B (Classes of Boron Compounds); (2)Classes of Metal Compounds; (3)Cu (Copper) Compounds; (4)Reduction; (5)Synthetic Organic Chemistry; (6)Tetrahydroborates; (7)Transition Metal Compounds.

The properties of the chemical are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å²; (13)Enthalpy of Vaporization: 58.18 kJ/mol; (14)Vapour Pressure: 4.74×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cu].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3.[BH4-]
(2)InChI: InChI=1/2C18H15P.BH4.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H4;/q;;-1;
(3)InChIKey: OIFZQKCJHVNBRA-UHFFFAOYAT