りん酸ジフェニル

Phosphoric acid, diphenyl ester

HCID 13282CAS 53396-64-8

基本情報

標準SMILES
O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N
分子式
C12H11O4P
平均分子量
250.19 g/mol
単同位体質量
250.03949583

名称と識別子

優先名称
Phosphoric acid, diphenyl ester
IUPAC
diphenyl hydrogen phosphate
現地名
りん酸ジフェニル
英語名
Diphenyl phosphate
分子式
C12H11O4P
分子量
250.19

名称と別名

DIPHENYL PHOSPHATEDiphenyl hydrogen phosphate838-85-7diphenylphosphatePhosphoric acid, diphenyl esterPhenyl hydrogen phosphatePhenyl phosphate ((PhO)2(HO)PO)NSC 6518EINECS 212-657-2DTXSID1048207BRN 1379164DTXCID3028182
名称をさらに表示
りん酸ジフェニルジフェニル=ホスファートりん酸水素ジフェニルジフェニルホスファートジフェニル=水素=ホスファートジフェニル ホスファートりん酸ジフェニル, 97%オキシラトホスホン酸ジフェニルジフェノキシホスフィン酸(ジフェニルホスファート)アニオン(りん酸ジフェニル)アニオン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

データベース識別子

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

物性

構造計算による物性

XLogP
1.4
極性表面積
55.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
4
重原子数
17

実験および物理化学的性質

Collision Cross Section · 2 件

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]+

物理化学的性質

融点
62 · 62-66 °C (lit.)
沸点
280 °C · 280°C
比重(密度)
0 · 0,76 g/cm3
屈折率
1.625 · 1.6250
闪点
4 °C · 4°C
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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.

安全データ

wgk
3
tsca
TSCA listed
rtecs
TC5470000
hs_code
29190090
risk_code
36/37/38
safety_code
22-24/25

化学と産業

用途と製造

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 件

Paint and Coating Manufacturing

Phosphoric acid, diphenyl ester: ACTIVE

調製方法

純化方法Crystallise it from CHCl3/pet ether. [Cherbuliez in Organo Phosphorus Compounds (Kosolapoff & Maier eds) Wiley Vol 6 pp 211-577 1973, Beilstein 6 IV 714.]

上流・下流製品情報

サプライヤー50 社

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]

補足説明

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

関連反応

3 件

関連ノート

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