Diphenyl phosphate - CAS 838-85-7

Catalog:	BB037107
Product Name:	Diphenyl phosphate
CAS:	838-85-7
Synonyms:	diphenyl hydrogen phosphate

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Computed Properties

IUPAC Name:	diphenyl hydrogen phosphate
Description:	Diphenyl phosphate (CAS# 838-85-7) is an organophosphate diester and metabolite of the flame retardant Triphenyl Phosphate (T808990) and also a metabolite of 2-Ethylhexyl diphenyl phosphate.
Molecular Weight:	250.19
Molecular Formula:	C12H11O4P
Canonical SMILES:	C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2
InChI:	InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChI Key:	ASMQGLCHMVWBQR-UHFFFAOYSA-N
Boiling Point:	377.7 °C at 760 mmHg
Density:	0.76 g/cm³
LogP:	3.24480

Publication Number	Title	Priority Date
WO-2021124726-A1	Fiber-reinforced resin molding material, fiber-reinforced resin molded article, and method for manufacturing fiber-reinforced resin molded article	20191220
WO-2021126001-A1	Modified diene polymer and method for the preparation thereof	20191220
WO-2021126671-A1	Polyolefin composition	20191219
US-2021191268-A1	Resist composition and method of forming resist pattern	20191218
WO-2021123354-A1	Flame retardant materials	20191218

PMID	Publication Date	Title	Journal
33677611	20210527	Organophosphate Flame Retardants, Highly Fluorinated Chemicals, and Biomarkers of Placental Development and Disease During Mid-Gestation	Toxicological sciences : an official journal of the Society of Toxicology
31812418	20200401	Adipogenic activity of 2-ethylhexyl diphenyl phosphate via peroxisome proliferator-activated receptor γ pathway	The Science of the total environment
30864794	20190402	Diphenyl Phosphate-Induced Toxicity During Embryonic Development	Environmental science & technology
30652482	20190219	Organophosphate Ester, 2-Ethylhexyl Diphenyl Phosphate (EHDPP), Elicits Cytotoxic and Transcriptomic Effects in Chicken Embryonic Hepatocytes and Its Biotransformation Profile Compared to Humans	Environmental science & technology
28163246	20170401	Triphenyl phosphate enhances adipogenic differentiation, glucose uptake and lipolysis via endocrine and noradrenergic mechanisms	Toxicology in vitro : an international journal published in association with BIBRA

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Related Functional Groups

Phosphorus Compounds

[4671-77-6]
1,4-Butanediphosphonic acid
[169689-05-8]
1S,2S-DHAC-Phenyl Trost Ligand
[39600-44-7]
Glycine,N-(phosphonomethyl)-, 1-methyl ester
[65514-03-6]
1-(Methacryloyloxy)ethylphosphonic acid
[757-54-0]
Allylphosphonic acid dimethyl ester
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT

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GHS Hazard Statement:	H314 (89.47%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.03949583
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	250.03949583
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4