Diphenyl phosphine oxide - CAS 4559-70-0

Catalog:	BB043328
Product Name:	Diphenyl phosphine oxide
CAS:	4559-70-0
Synonyms:	TIMTEC-BB SBB005946; AURORA KA-1314; DIPHENYLPHOSPHINE OXIDE; Diphenylphosphaneoxide; Diphenylphosphinigsαure; Diphenylphosphinit; Diphenylphosphinousacid; Diphenylphosphinoxid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	oxo(diphenyl)phosphanium
Description:	Diphenyl phosphine oxide (CAS# 4559-70-0 ) is a useful research chemical.
Molecular Weight:	202.19
Molecular Formula:	C12H11OP
Canonical SMILES:	C1=CC=C(C=C1)[P+](=O)C2=CC=CC=C2
InChI:	InChI=1S/C12H10OP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1
InChI Key:	YFPJFKYCVYXDJK-UHFFFAOYSA-N
Purity:	98 %
Appearance:	White crystals or powder

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Related Functional Groups

Phosphorus Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[757-54-0]
Allylphosphonic acid dimethyl ester
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[35051-50-4]
Ethyl 2-(diethoxyphosphoryl)-3-methylbutanoate
[20345-61-3]
Ethyl 2-(diethoxyphosphoryl)prop-2-enoate

GHS Hazard Statement:	H302 (89.47%): 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]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.046926936
Formal Charge:	1
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.046926936
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5