CAS 68014-21-1 N-Boc-Imino-(triphenyl)phosphorane (HCID 2756802)

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Basic information

CAS: 68014-21-1
Standard SMILES: CC(C)(C)OC(=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N
Molecular formula: C23H24NO2P
Average molar mass: 377.4 g/mol
Monoisotopic mass: 377.15446601

Names & identifiers

Preferred name: N-Boc-Imino-(triphenyl)phosphorane
IUPAC: tert-butyl N-(triphenyl-lambda5-phosphanylidene)carbamate
English name: N-BOC-IMINO-(TRIPHENYL)PHOSPHORANE
Molecular formula: C23H24NO2P
Molecular weight: 377.42

Names & synonyms

N-Boc-Imino-(triphenyl)phosphorane68014-21-1DTXSID80373547RefChem:363501DTXCID80324579672-406-1N-Boc-Imino(triphenyl)phosphoranetert-Butyl (triphenylphosphoranylidene)carbamateMFCD00798174tert-butyl N-(triphenyl-lambda5-phosphanylidene)carbamateC23H24NO2PTERT-BUTYL TRIPHENYLPHOSPHORANYLIDENECARBAMATE

Show more names

AcNHTEMPOn-Boc-Imino-(Triphenyl)PhosphoranN-Boc-imino-(triphenyl)phosphorane, 97.5%triphenyl(t-butoxycarbonylimino)phosphoraneN-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane1,1-Dimethyl N-(triphenylphosphoranylidene)carbamatetert-butyl (triphenyl-lambda5-phosphanylidene)car...tert-butyl (triphenyl-lambda5-phosphanylidene)carbamate

tert-Butoxycarbonylaminotriphenylphosphine; (Triphenylphosphoranylidene)carbamic Acid 1,1-Dimethylethyl Ester; N-(Triphenylphosphoranylidene)carbamic Acid 1,1-Dimethylethyl EsterCarbamic acid, (triphenylphosphoranylidene)-, 1,1-dimethylethyl esterSCHEMBL362216(Triphenylphosphoranylidene)carbamic Acid tert-Butyl EsterKNXPVXCUELYHDM-UHFFFAOYSA-NAKOS015899721AC-6553CS-W005769

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 481

Physicochemical properties

Melting point: 147 to · 147.0 to 151.0 °C
Boiling point: 491.8 · 491.8±28.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)N=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS DataBase Reference: 68014 · 68014-21-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements

Safety & regulation

Safety data

ridadr: 1759
hs_code: 29319090
risk_code: 23/34/35
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 36/37/39
hazard_class: 8
packing_group: Ⅲ
Hazard statements: H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501