Phenylphosphinic acid (HCID 72903)

名称と識別子

優先名称: Phenylphosphinic acid
IUPAC: phenylphosphonous acid
現地名: フェニルホスフィン酸
英語名: Phenylphosphinic acid
分子式: C6H7O2P
分子量: 142.09

名称と別名

DTXSID0027436K4200UO6KYDTXCID601474036NSC-2670RefChem:173103217-217-31779-48-2Phenylphosphinic acidHydroxyphenylphosphine oxideBenzenephosphonous acid (VAN)EINECS 217-217-3BRN 2802244

名称をさらに表示

フェニルホスフィン酸フェニルホスフィン酸ベンゼンホスフィン酸フェニル亜ホスホン酸フェニルホスフィン酸, 99%phosphenous acidCoproporphyrin I-15N4NSC2670phenylphospho acidphenyl-phosphinicaciBenzolphosphonigsαurePHENYLPHOSPHONOUS ACIDPhosphinicacid,phenyl-BENZENEPHOSPHINIC ACID

AI3-15040UNII-K4200UO6KYSCHEMBL641890Tox21_200455AKOS006222993NCGC00258009-01CAS-1779-48-24-16-00-01033 (Beilstein Handbook Reference)

データベース識別子

CAS: 1779-48-2
PubChem CID: 72903
DTXSID: DTXSID0027436
UNII: K4200UO6KY
EC Number: 217-217-3
Nikkaji: J1.436.458G

物性

構造計算による物性

XLogP: 0.5
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 79

物理化学的性質

融点: 83 · 83-85 °C(lit.)
沸点: 180 °C · 180 °C
比重(密度): 1.376 · 1.376
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、水（微量、加温）
酸解離定数(Pka): 1 · pK1:2.1 (17°C)
外見: 結晶性固体
色: 白い
水溶解度: 7.7 g/100mL · 7.7g/100mL(25℃)
BRN: 2802244 · 2802244
InChI: InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)
InChIKey: MLCHBQKMVKNBOV-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(O)=O
CAS データベース: 1779 · 1779-48-2(CAS DataBase Reference)
NISTの化学物質情報: Phosphinic acid, phenyl-(1779-48-2)
EPAの化学物質情報: Phosphinic acid, phenyl- (1779-48-2)

化学的性質

化学的特性white crystals or crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.3% (2 of 151) of reports.

Danger

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (70.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 151 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 2 of 151 reports by companies.；There are 5 notifications provided by 149 of 151 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

Hazard Classes and CategoriesAcute Tox. 4 (98.7%)；Skin Corr. 1C (98%)；Eye Dam. 1 (70.2%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: SZ5462500
ridadr: UN 3261 8/PG 3
hs_code: 29309099
risk_code: 22-34-41-37/38
hazard_code: C,Xn
safety_code: 26-36/37/39-45
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

応用分野

使用Antioxidant, intermediate for metallic-salt formation, accelerator for organic peroxide catalysts.

一般的な説明Phenylphosphinic acid is also known as phenylphosphonous acid. Kinetics of oxidation of phenylphosphinic acid by metal and non metal oxidants was investigated in a study.2

調製方法 · 1 件

純化方法Crystallise it from H2O (solubility is 7.7% at 25o). Also purify it by placing the solid in a flask covered with dry Et2O, and allowed it to stand for 1day with intermittent shaking. Et2O is decanted off and the process repeated. After filtration, excess Et2O is removed in a vacuum. It has also been recrystallised from *C6H6. [Michaelis Justus Liebigs Ann Chem 181 265 1876, Banks & Skoog Anal Chem 29 109 1957, NMR: Van Wazer et al. J Am Chem Soc 78 5715 1956, Beilstein 16 IV 1033.]