Phenylphosphinsure

Phenylphosphinic acid

HCID 72903CAS 1779-48-2

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Grundinformationen

Standard-SMILES: OP(O)c1ccccc1
InChIKey: CGNKSELPNJJTSM-UHFFFAOYSA-N
Summenformel: C6H7O2P
Durchschnittliche Molmasse: 142,09 g/mol
Monoisotopische Masse: 142,01836646

Namen und Bezeichner

Bevorzugter Name: Phenylphosphinic acid
IUPAC: phenylphosphonous acid
Lokaler Name: Phenylphosphinsure
Englischer Name: Phenylphosphinic acid
Summenformel: C6H7O2P
Molmasse: 142.09

Namen und Synonyme

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

Weitere Namen anzeigen

phosphenous acidCoproporphyrin I-15N4NSC2670phenylphospho acidphenyl-phosphinicaciBenzolphosphonigsαurePHENYLPHOSPHONOUS ACIDPhosphinicacid,phenyl-BENZENEPHOSPHINIC ACID

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 79

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-85 °C(lit.)
Siedepunkt: 180 °C · 180 °C
Dichte: 1.376 · 1.376
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Water (Slightly, Heated)
pka: 1 · pK1:2.1 (17°C)
Aggregatzustand: Crystalline Solid
Farbe: White
Wasserlöslichkeit: 7.7 g/100 · 7.7 g/100 mL (25 ºC)
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 Datenbank: 1779 · 1779-48-2(CAS DataBase Reference)
NIST chemische Informationen: Phosphinic acid, phenyl-(1779-48-2)
EPA chemische Informationen: Phosphinic acid, phenyl- (1779-48-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.