CAS 2356-16-3 Triethyl 2-fluoro-2-phosphonoacetate (HCID 2734865)

Names & identifiers

Preferred name: Triethyl 2-fluoro-2-phosphonoacetate
IUPAC: ethyl 2-diethoxyphosphoryl-2-fluoroacetate
English name: Triethyl 2-fluoro-2-phosphonoacetate
Molecular formula: C8H16FO5P
Molecular weight: 242.18

Names & synonyms

Triethyl 2-fluoro-2-phosphonoacetateRefChem:899470627-648-22356-16-3ethyl 2-(diethoxyphosphoryl)-2-fluoroacetate2-Fluoro-2-phosphonoacetic Acid Triethyl Esterethyl 2-diethoxyphosphoryl-2-fluoroacetateMFCD00134400ethyl (diethoxyphosphoryl)(fluoro)acetateTriethyl phosphonofluoroacetateAcetic acid, (diethoxyphosphinyl)fluoro-, ethyl esterethyl diethylphosphonofluoroacetate

Show more names

czjuoro-2-phosphonoacetateTriethyl-2-Fluoro-2-PhosphonotriethylphosphonofluoroacetateTriethyl2-Fluoro-2-phosphoacetateRIETHYL2-FLUORO-2-PHOSPHONOACETATETriethyl-2-fluoro-phosphonoacetateTriethyl α-fluoro(phosphono)acetate

triethyl-2-fluoro-2-phosphonoacetateC8H16FO5PTriethyl fluorophosphonoacetateethyl 2-(diethoxycarbonyl)-2-fluoroacetatediethyl [(ethoxycarbonyl)fluoromethyl]phosphonateTriethyl2-fluoro-2-phosphonoacetate(Diethoxyphosphinyl)fluoroacetic Acid Ethyl EsterSCHEMBL365852

Database identifiers

CAS: 2356-16-3
PubChem CID: 2734865
DTXSID: DTXSID20946330
EC Number: 627-648-2
Nikkaji: J247.275I

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 235

Physicochemical properties

Boiling point: 75 °C0.01 · 75 °C0.01 mm Hg(lit.)
Density: 1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.425(lit.)
Flash point: 165 °F · 165 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 1.194 · 1.194
BRN: 1912161 · 1912161
InChI: InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChIKey: FVPISMANESAJQZ-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(P(OCC)(OCC)=O)F
CAS DataBase Reference: 2356 · 2356-16-3(CAS DataBase Reference)
UNSPSC Code: 12352108 · 12352108
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P210e-P280a-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 10 · 10-21
Hazard Note: Irritant
HazardClass: IRRITANT, FLAMMABLE
HS Code: 29319090 · 29319090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (96.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.7%): 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 57 reports by companies from 11 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 (96.5%)；Eye Irrit. 2 (96.5%)；STOT SE 3 (94.7%)

Safety data

F: 10-21
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29319090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: IRRITANT, FLAMMABLE
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H227-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P210e-P280a-P405-P501a

Chemistry & industry

Applications · 1 item

UsesReactant for: Diels-Alder reactionsBiosynthesis of terpeneStereoselective synthesis of unsaturated esters, fluorides and nitriles from the reactions of aldehydes and ketones using Wadsworth-Emmons phosphonatesSynthesis of quinolonesHorner-Wadsworth-Emmons asymmetric hydrationAddition reactions and the subsequent application to click chemistryAsymmetric intermolecular Stetter reactions