Phosphine, tris(4-methoxyphenyl)-

HCID 70071CAS 855-38-9

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIKey: UYUUAUOYLFIRJG-UHFFFAOYSA-N
Molecular formula: C21H21O3P
Average molar mass: 352.4 g/mol
Monoisotopic mass: 352.12283116

Names & identifiers

Preferred name: Phosphine, tris(4-methoxyphenyl)-
IUPAC: tris(4-methoxyphenyl)phosphane
English name: Tris(4-methoxyphenyl)phosphine
Molecular formula: C21H21O3P
Molecular weight: 352.36

Names & synonyms

Tris(4-methoxyphenyl)phosphinePhosphine, tris(4-methoxyphenyl)-TRI(4-METHOXYPHENYL)PHOSPHINEEINECS 212-723-0PF5BT47LZ8Tri(p-methoxyphenyl)phosphineNSC-136458DTXSID3061217Tris(4-anisyl)phosphineAI3-62578tri-(4-Methoxyphenyl)phosphinePhosphorus tri-(p-methoxyphenyl)

Show more names

TRIS(P-METHOXYPHENYL)PHOSPHINETRIS(P-METHOXYPTris(4-methoxyphenyLLABOTEST-BB LTBB005439

RefChem:173538DTXCID4048486UYUUAUOYLFIRJG-UHFFFAOYSA-N855-38-9tris(4-methoxyphenyl)phosphaneTrianisylphosphineTri-p-anisylphosphineTris(p-anisyl)phosphine

Database identifiers

CAS: 855-38-9
PubChem CID: 70071
DTXSID: DTXSID3061217
UNII: PF5BT47LZ8
EC Number: 212-723-0
Nikkaji: J151.204H

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 310

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 131 · 131-134 °C (lit.)
Boiling point: 457.8 · 457.8±40.0 °C(Predicted)
Density: 1.1352 · 1.1352 (estimate)
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
color: White to pale yellow
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
BRN: 2815911 · 2815911
InChI: InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
InChIKey: UYUUAUOYLFIRJG-UHFFFAOYSA-N
SMILES: P(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1
CAS DataBase Reference: 855 · 855-38-9(CAS DataBase Reference)
FDA UNII: 5 BT47LZ8 · PF5BT47LZ8
EPA Substance Registry System: Phosphine, tris(4-methoxyphenyl)- (855-38-9)
UNSPSC Code: 12352112 · 12352112
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29319090 · 29319090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.