Phosphoric acid, diphenyl ester

HCID 13282CAS 53396-64-8

Basic information

Standard SMILES
O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N
Molecular formula
C12H11O4P
Average molar mass
250.19 g/mol
Monoisotopic mass
250.03949583

Names & identifiers

Preferred name
Phosphoric acid, diphenyl ester
IUPAC
diphenyl hydrogen phosphate
English name
Diphenyl phosphate
Molecular formula
C12H11O4P
Molecular weight
250.19

Names & synonyms

DIPHENYL PHOSPHATEDiphenyl hydrogen phosphate838-85-7diphenylphosphatePhosphoric acid, diphenyl esterPhenyl hydrogen phosphatePhenyl phosphate ((PhO)2(HO)PO)NSC 6518EINECS 212-657-2DTXSID1048207BRN 1379164DTXCID3028182
Show more names
Diphenyl phosphate 99%Phosphoric acid diphenylBiphenyl EsterBiapenem Impurity 21DiphenylPhosphate>Diphenyl phosphate,99%Diphenyl phosphate, 97%
4-06-00-00714 (Beilstein Handbook Reference)RefChem:862590212-657-2Phosphoric acid diphenyl esterMFCD00003033diphenylphosphoric acidSitafloxacin Impurity 29CHEMBL3186576

Database identifiers

CAS
53396-64-8、838-85-7
PubChem CID
13282
DTXSID
DTXSID1048207
ChEMBL
CHEMBL3186576
ChEBI
CHEBI:166468
UNII
PR9H42V2X6
EC Number
212-657-2
Nikkaji
J32.756E

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Experimental & physicochemical properties

Collision Cross Section · 2 items

153.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1048207];156.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1048207]

164.38 Ų [M+Na]+;152.82 Ų [M-H]-;157.41 Ų [M+H]+

Physicochemical properties

Melting point
62 · 62-66 °C (lit.)
Boiling point
280 °C · 280°C
Density
0 · 0,76 g/cm3
refractive index
1.625 · 1.6250
Flash point
4 °C · 4°C
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 42.2% (27 of 64) of reports.

Danger

H314 (54.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 27 of 64 reports by companies.;There are 5 notifications provided by 37 of 64 reports by companies with hazard statement code(s).;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.

Hazard information

Regulatory Information · 4 items

Chemical: Phosphoric acid, diphenyl ester

Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Phosphoric acid, diphenyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Phosphoric acid, diphenyl ester: Human health tier I assessment;Evaluation - Triphenyl phosphate and diphenyl phosphate
Hazard Classes and CategoriesSkin Corr. 1B (54.7%);Eye Dam. 1 (28.1%)

Regulatory information

Regulatory Information · 4 items

Chemical: Phosphoric acid, diphenyl ester

Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Phosphoric acid, diphenyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
TC5470000
hs_code
29190090
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 125,346 lb;2022: 135,567 lb;2021: 117,492 lb;2020: 117,196 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information · 2 items

Paint and Coating Manufacturing

Phosphoric acid, diphenyl ester: ACTIVE

Applications · 1 item

UsesDiphenyl phosphate can be used as an organic catalyst for the ring-opening polymerization (ROP) of renewable 5-alkyl δ-lactones. In combination with zinc iodide, it forms a novel initiating system for the living cationic polymerization of isobutyl vinyl ether.

Upstream & downstream products

Downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: Diphenyl phosphate is an aryl phosphate and metabolite of the flame retardant Triphenyl Phosphate and also a metabolite of 2-Ethylhexyl diphenyl phosphate.

Related reactions

3 records

Linked notes

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Phosphoric acid, diphenyl ester (HCID 13282)|Huagongshe