CAS 1779-48-2 Phenylphosphinic acid (HCID 72903)

Names & identifiers

Preferred name: Phenylphosphinic acid
IUPAC: phenylphosphonous acid
English name: Phenylphosphinic acid
Molecular formula: C6H7O2P
Molecular weight: 142.09

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 79

Physicochemical properties

Melting point: 83 · 83-85 °C(lit.)
Boiling point: 180 °C · 180 °C
Density: 1.376 · 1.376
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Water (Slightly, Heated)
pka: 1 · pK1:2.1 (17°C)
form: Crystalline Solid
color: White
Water Solubility: 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 DataBase Reference: 1779 · 1779-48-2(CAS DataBase Reference)
FDA UNII: 4200 UO6KY · K4200UO6KY
NIST Chemistry Reference: Phosphinic acid, phenyl-(1779-48-2)
EPA Substance Registry System: Phosphinic acid, phenyl- (1779-48-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xn
Risk Statements: 22 · 22-34-41-37/38
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 3
WGK Germany: 3 · 3
RTECS: 5462500 · SZ5462500
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29309099 · 29309099
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: SZ5462500
ridadr: UN 3261 8/PG 3
hs_code: 29309099
risk_code: 22-34-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xn
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302-H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 3 items

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

UsesCoproporphyrin I-15N4 is an intermediate in the synthesis of Coproporphyrin I-15N4 Sodium BIsulfate Salt (C685402). Labelled Coproporphyrin I. Coproporphyrin I is a porphyrin, a naturally occuring aromatic heterocyclic marcomolecule. The ratio of Coproporphyrin I and Coproporphyrin III provides a useful biochemical marker for distinguishing familial and sporadic porphyria cutanea tarda. Coproporphyrin I also serve as a biomarker of environmental toxicity and susceptibility in autism.

General DescriptionPhenylphosphinic 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