Diphenylphosphinamide

HCID 853560

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Basic information

CAS: 5994-87-6
Standard SMILES: NP(=O)(c1ccccc1)c1ccccc1
InChIKey: RIGIWEGXTTUCIQ-UHFFFAOYSA-N
Molecular formula: C12H12NOP
Average molar mass: 217.2 g/mol
Monoisotopic mass: 217.065651

Names & identifiers

Preferred name: Diphenylphosphinamide
IUPAC: [amino(phenyl)phosphoryl]benzene
English name: DIPHENYLPHOSPHINAMIDE
Molecular formula: C12H12NOP
Molecular weight: 217.2

Names & synonyms

Diphenylphosphinamide5994-87-6DTXSID40357449RefChem:338989DTXCID50308508626-207-1P,P-diphenylphosphinic amide[amino(phenyl)phosphoryl]benzene[amino(phenyl)phosphoroso]benzeneMFCD00014766C12H12NOPDiphenylphosphinamide,98%

Show more names

Diphenyl phosphinic acid amide

Diphenylphosphinamide, 97%AURORA KA-1558SCHEMBL1382562SCHEMBL1382564Phosphinic amide, P,P-diphenyl-RIGIWEGXTTUCIQ-UHFFFAOYSA-NDiphenyl phosphinic acid amideAKOS004909980

Database identifiers

CAS: 5994-87-6
PubChem CID: 853560
DTXSID: DTXSID40357449
EC Number: 626-207-1
Nikkaji: J900.162J

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 220

Physicochemical properties

Melting point: 160 · 160-162°C
Boiling point: 368.1 · 368.1±25.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Soluble in chloroform, nitromethane, nitrobenzene.
form: solid
pka: 1.56 · 1.56±0.70(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C12H12NOP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,14)
InChIKey: RIGIWEGXTTUCIQ-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)(N)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.