CAS 3283-12-3 Dimethylphosphinic acid (HCID 76777)

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Basic information

CAS: 3283-12-3
Standard SMILES: CP(C)(=O)O
InChIKey: GOJNABIZVJCYFL-UHFFFAOYSA-N
Molecular formula: C2H7O2P
Average molar mass: 94.05 g/mol
Monoisotopic mass: 94.01836646

Names & identifiers

Preferred name: Dimethylphosphinic acid
IUPAC: dimethylphosphinic acid
English name: Dimethylphosphinic acid
Molecular formula: C2H7O2P
Molecular weight: 94.05

Names & synonyms

Dimethylphosphinic acid3283-12-3HWF42NF4CGPHOSPHINIC ACID, P,P-DIMETHYL-CHEBI:23814GOJNABIZVJCYFL-UHFFFAOYSA-DTXSID00186499P,P-DIMETHYLPHOSPHINIC ACIDEINECS 221-927-9HYDROXYDIMETHYLPHOSPHINE OXIDERefChem:134374DTXCID60108990

Show more names

DimethylphosphonicacidDimethylphosphinic acid,97%DiMethylphosphinic acid 97%Phosphinic acid,diMethyl- (6CI,7CI,8CI,9CI)

221-927-9InChI=1/C2H7O2P/c1-5(2,3)4/h1-2H3,(H,3,4)16391-06-3MFCD00009611DimethylphosphinicacidUNII-HWF42NF4CGphosphinic acid, dimethyl-DimethylphosphinsA currencyure

Database identifiers

CAS: 3283-12-3
PubChem CID: 76777
DTXSID: DTXSID00186499
ChEBI: CHEBI:23814
UNII: HWF42NF4CG
EC Number: 221-927-9
Nikkaji: J21.046C

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 62

Physicochemical properties

Melting point: 85 · 85-89 °C(lit.)
Boiling point: 377 °C · 377°C
Density: 1.13 · 1.130±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature, keep dry and cool
pka: 2.9 · 2.90±0.50(Predicted)
form: solid
Appearance: White to off-white Solid
InChI: 1S/C2H7O2P/c1-5(2,3)4/h1-2H3,(H,3,4)
InChIKey: GOJNABIZVJCYFL-UHFFFAOYSA-N
SMILES: CP(C)(O)=O
FDA UNII: 42 NF4CG · HWF42NF4CG
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335

Chemistry & industry

Applications · 2 items

UsesDimethylphosphinic acid was used in preparation of microcrystalline organometallic coordination polymer.

General DescriptionInfrared spectra for gaseous and polycrystalline samples of dimethylphosphinic acid at various temperatures are reported. The molecular structure of the hydrogen bonded cyclic dimer of dimethylphosphinic acid was studied by gas-phase electron diffraction at 433K.