Butyldi-1-adamantylphosphine CAS#: 321921-71-5; ChemWhat Code: 38672

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameButyldi-1-adamantylphosphine
IUPAC Namebis(1-adamantyl)-butylphosphane
Molecular StructureStructure of Butyldi-1-adamantylphosphine CAS 321921-71-5
CAS Registry Number 321921-71-5
EINECS NumberNo data availabe
MDL NumberMFCD05861606
Beilstein Registry Number8726448
Synonymscatacxium A, di-(1-adamantyl)-n-butylphosphine, rac-((3R,5R,7R)-adamantan-1-yl)((3S,5S,7S)-adamantan-1-yl)(butyl)phosphane, butyl(ditricyclo[3.3.1.1∼3,7∼]dec-1-yl)phosphane, butylbis(tricyclo[3.3.1.13,7]dec-1-yl)phosphine, butylditricyclo[3.3.1.1(3,7)]decan-1-ylphosphane, di((3S,5S,7S)-adamantan-1-yl)(butyl)phosphine
Molecular FormulaC24H39P
Molecular Weight358.54
InChIInChI=1S/C24H39P/c1-2-3-4-25(23-11-17-5-18(12-23)7-19(6-17)13-23)24-14-20-8-21(15-24)10-22(9-20)16-24/h17-22H,2-16H2,1H3/t17-,18+,19-,20-,21+,22-,23-,24-
InChI KeyHTJWUNNIRKDDIV-FECFBMJZSA-N
Canonical SMILESCCCCP([C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)[C@@]45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6
Patent Information
Patent IDTitlePublication Date
US2013/26426CARBAZOLE DERIVATIVE AND SEMICONDUCTOR NANOCRYSTAL2013
US2015/80628CATALYST AND PROCESS FOR THE CO-DIMERIZATION OF ETHYLENE AND PROPYLENE2015
EP1473297PROCESS FOR PRODUCING TERTIARY PHOSPHINE HAVING BULKY HYDROCARBON GROUP BONDED2004

Physical Data

AppearanceWhite to yellow solid
Sensitivityair sensitive
Melting Point, °C Solvent (Melting Point)
108 – 110ethanol
102

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Coupling NucleiSolvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hbenzene-d6250
Chemical shifts1H1Hbenzene-d6250
Chemical shifts13Cbenzene-d662
Chemical shifts13C31Pbenzene-d662
Chemical shifts31Pbenzene-d6
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
BandsKBr
Description (Mass Spectrometry)
spectrum, electron impact (EI)

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Butyldi-1-adamantylphosphine CAS 321921-71-5
Route of Synthesis (ROS) of Butyldi-1-adamantylphosphine CAS 321921-71-5
ConditionsYield
With selenium In chloroform-d1 at 60℃; for 0.666667h; Inert atmosphere;100%

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH302 (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]
H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS Code293100
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Use Pattern
Used as a catalyst.

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