CAS 1571-33-1 Phenylphosphonic Acid (HCID 15295)

概要

Phenylphosphonic acid is a member of benzenes.

名称と識別子

優先名称: Phenylphosphonic Acid
IUPAC: phenylphosphonic acid
現地名: フェニルホスホン酸
英語名: Phenylphosphonic acid
分子式: C6H7O3P
分子量: 158.09

名称と別名

Phenylphosphonic acid1571-33-1Benzenephosphonic acidPhosphonic acid, phenyl-Phosphonic acid, P-phenyl-Phenyl-phosphonic acidDTXSID2044399NSC-145BYD76T2868DTXCID0024399RefChem:173104216-388-1

名称をさらに表示

フェニルホスホン酸ベンゼンホスホン酸フェニルホスホン酸, 98%MPCPPPOABenzolphosphonsαurePHENYLPHOSPHORYL DICHLORIDEBENZOLPHOSPHONSΑUREphenyl-phosphonicaciPhosphonicacid,phenyl-PhenylphosphonicAcid>

MFCD00002136Dihydrogen phenylphosphonateCHEMBL179801NSC145PHENYL PHOSPHONIC ACIDPhenylphosphonicacidC6H7O3PNSC 145

データベース識別子

CAS: 1571-33-1
PubChem CID: 15295
DTXSID: DTXSID2044399
ChEMBL: CHEMBL179801
ChEBI: CHEBI:191118
UNII: BYD76T2868
EC Number: 216-388-1
Nikkaji: J40.748H

物性

構造計算による物性

XLogP: 0.5
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 145

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

Collision Cross Section130.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044399]

物理化学的性質

融点: 162 · 162-164 °C (lit.)
沸点: 241 · 241-243 °C(lit.)
比重(密度): 1.412 g/mL · 1.412 g/mL at 25 °C(lit.)
蒸気圧: 0 · 0-0Pa at 20-25℃
屈折率: 20 · n20/D 1.523(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1:1.83;pK2:7.07 (25°C)
色: ホワイトからオフホワイト
水溶解度: 40.4 g/100mL · 40.4g/100mL(25℃)
BRN: 2245168 · 2245168
InChI: 1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey: QLZHNIAADXEJJP-UHFFFAOYSA-N
SMILES: OP(O)(=O)c1ccccc1
LogP: -3.3 · -3.3-0.086 at 20-25℃ and pH4-7
表面張力: 71.2 mN/m · 71.2mN/m at 1g/L and 20℃
CAS データベース: 1571 · 1571-33-1(CAS DataBase Reference)
EPAの化学物質情報: Phosphonic acid, phenyl- (1571-33-1)

化学的性質

化学的特性white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 201) of reports.

Danger

H302 (44.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 201 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phosphonic acid, phenyl-

Phosphonic acid, P-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-phenyl- 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)

Status: Active Update: 12-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24347

Hazard Classes and CategoriesAcute Tox. 4 (44.3%)

安全データ

F: 10
wgk: 3
tsca: TSCA listed
rtecs: TD4393000
ridadr: UN 3265 8/PG 2
毒性: mouse,LD50,intraperitoneal,110mg/kg (110mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 55, 1950.
hs_code: 29319090
risk_code: 34-37-41-37/38-22-38
化審法: (3)-2524
hazard_code: C,Xn
safety_code: 26-39-37/39-45-36/37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 16,000 lb

Industry UsesStabilizing agent

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Phosphonic acid, P-phenyl-: ACTIVE

応用分野 · 1 件

使用Phenylphosphonic acid additive used with Noyori's catalyst for oxidation of sulfides to sulfones. Used as additive of unsaturated polyester PU resin. It also can be added into nylon to improve its polymerization degree. It can be used as extreme pressure agent of lube; used as catalyst of carboxylic acid & alcohol reaction; it can be used as fire retarding treatment of fiber used asganic materials.

調製方法 · 1 件

純化方法It is best to recrystallise it from H2O by concentrating an aqueous solution to a small volume and allowing to crystallise. Wash the crystals with ice cold H2O and dry them in a vacuum desiccator over H2SO4. [Lecher et al. J Am Chem Soc 76 1045 1954.] pK2 5 values in H2O are 7.07, and in 50% EtOH 8.26. [Jaffé et al. J Am Chem Soc 75 2209 1953, IR: Daasch & Smith Anal Chem 23 853 1951, Beilstein 16 IV 1068.]