磷酸氢二苯酯

Description

diphenyl hydrogen phosphate · CAS 838-85-7 · C12H11O4P. UNII PR9H42V2X6. Collision Cross Section: 164.38 Ų [M+Na]+; Collision Cross Section: 152.82 Ų [M-H]-; Collision Cross Section: 157.41 Ų [M+H]+.

Identification

CAS Registry Number	838-85-7
PubChem CID	13282
Molecular formula	C12H11O4P
IUPAC name	diphenyl hydrogen phosphate
UNII (FDA)	PR9H42V2X6

Computed Descriptors

Molecular Weight	250.19
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	250.03949583
Monoisotopic Mass	250.03949583
Topological Polar Surface Area	55.8
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	164.38 Ų [M+Na]+
Collision Cross Section	152.82 Ų [M-H]-
Collision Cross Section	157.41 Ų [M+H]+

Physical description & handling notes

• 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]

Regulatory Status

GHS notification summary	42.2% (27 / 64)

GHS Hazard Classification

GHS notification summary	42.2% (27 / 64)
Reported hazard statements	H314 (54.7%), H318 (28.1%)

Documented Uses

• Surfactant (surface active agent)
• Paint and Coating Manufacturing
• Phosphoric acid, diphenyl ester: ACTIVE

Synonyms

DIPHENYL PHOSPHATE; Diphenyl hydrogen phosphate; 838-85-7; diphenylphosphate; Phosphoric acid, diphenyl ester; Phenyl hydrogen phosphate; Phenyl phosphate ((PhO)2(HO)PO); NSC 6518; EINECS 212-657-2; DTXSID1048207; BRN 1379164; DTXCID3028182; 4-06-00-00714 (Beilstein Handbook Reference); RefChem:862590; 212-657-2; Phosphoric acid diphenyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of diphenyl hydrogen phosphate?

CAS 838-85-7; molecular formula C12H11O4P; molecular weight — g/mol.

What other names is diphenyl hydrogen phosphate known by?

DIPHENYL PHOSPHATE, Diphenyl hydrogen phosphate, 838-85-7, diphenylphosphate, Phosphoric acid, diphenyl ester, Phenyl hydrogen phosphate.

Is diphenyl hydrogen phosphate classified as hazardous?

42.2% of GHS notifications report no hazard classification (27 of 64).

What are the key physical properties of diphenyl hydrogen phosphate?

Collision Cross Section: 164.38 Ų [M+Na]+; Collision Cross Section: 152.82 Ų [M-H]-; Collision Cross Section: 157.41 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.