Cphos - CAS 1160556-64-8

Name: Cphos
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB054708
Product Name:	Cphos
CAS:	1160556-64-8
Synonyms:	2-Dicyclohexylphosphino-2',6'-bis(N,N-dimethylamino)biphenyl

Technical Data

IUPAC Name:	2-(2-dicyclohexylphosphanylphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
Description:	CPhos can be used:• As a ligand in the Pd-catalyzed synthesis of 3-cyclopentylindole derivatives, dihydrobenzofurans and trans-bicyclic sulfamides.• To synthesize palladacycle precatalysts for Negishi coupling of secondary alkylzinc.
Molecular Weight:	436.61
Molecular Formula:	C28H41N2P
Canonical SMILES:	CN(C)C1=C(C(=CC=C1)N(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
InChI:	InChI=1S/C28H41N2P/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h11-13,18-23H,5-10,14-17H2,1-4H3
InChI Key:	DRNAQRXLOSUHBQ-UHFFFAOYSA-N
Melting Point:	108-113 °C
Flash Point:	Not applicable
Purity:	98%

GHS Hazard Statement:	H302 (50%): 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]
Precautionary Statement:	P302 + P352 - P305 + P351 + P338
Signal Word:	Warning

Complexity:	489
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	436.30073631
Formal Charge:	0
Heavy Atom Count:	31
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	436.30073631
Rotatable Bond Count:	6
Topological Polar Surface Area:	6.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7