CAS 4020-99-9 Methoxydiphenylphosphine (HCID 77636)

Names & identifiers

Preferred name: Methoxydiphenylphosphine
IUPAC: methoxy(diphenyl)phosphane
English name: Diphenylmethoxyphosphine
Molecular formula: C13H13OP
Molecular weight: 216.22

Names & synonyms

MethoxydiphenylphosphineMethyl diphenylphosphiniteEINECS 223-683-9NSC 171167DTXSID80193202RefChem:811807DTXCID50115693223-683-94020-99-9methoxy(diphenyl)phosphaneDiphenylphosphinous Acid Methyl EsterMFCD00048025

Show more names

AURORA KA-1329DIPHENYLMETHOXYPHOSPHINEDiphenylphosphinooxymethaneMethoxydiphenylphosphine>(diphenylmethyl)oxyphosphineMethyl diphenylphosphinite 97%

Phosphinous acid, diphenyl-, methyl estermethoxydiphenylphosphaneSCHEMBL187947Methyl diphenylphosphinite, 97%NSC171167AKOS015905171NSC-171167SY048353

Database identifiers

CAS: 4020-99-9
PubChem CID: 77636
DTXSID: DTXSID80193202
EC Number: 223-683-9
Nikkaji: J217.833H

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 153

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phosphite Compounds

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 149 °C6 · 149 °C6 mm Hg(lit.)
Density: 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.604(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Liquid
Specific Gravity: 1.078 · 1.078
color: Clear colorless to very slightly yellow
Sensitive: Air & Moisture Sensitive
BRN: 1640480 · 1640480
InChI: InChI=1S/C13H13OP/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)OC
CAS DataBase Reference: 4020 · 4020-99-9(CAS DataBase Reference)
NIST Chemistry Reference: Methyl diphenylphosphinite(4020-99-9)
UNSPSC Code: 12352108 · 12352108
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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-36
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29310099 · 29310099
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Triphenylphosphine. See Dimethyl phenylphosphonite.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29310099
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesAsed as:Catalyst for hydroformylative desymmetrization of bisalkenyl carbinols and bishomoallylic carbinolsLigand in rhodium-catalyzed hydroformylation of bishomoallylic alcoholsCalatyst in preparation of γ-lactones via branched-regioselective hydroformylation reactionsLigand for nickel-catalyzed hydrocyanation reactionsCatalyst in annulation reactions