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2511-09-3

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Basic Information
CAS No.: 2511-09-3
Name: ETHYL PHENYLPHOSPHINATE
Article Data: 63
Molecular Structure:
Molecular Structure of 2511-09-3 (ETHYL PHENYLPHOSPHINATE)
Formula: C8H11 O2 P
Molecular Weight: 170.148
Synonyms: Phosphinicacid, phenyl-, ethyl ester (6CI,7CI,8CI,9CI);Ethoxyphenylphosphine oxide;Ethyl benzenephosphinite;Ethyl phenylphosphinate;NSC 300841;O-Ethylphenylphosphinate;Phenylphosphinic acid ethyl ester;
Density: 1.129
Boiling Point: °Cat760mmHg
Flash Point: 113 ºC
Hazard Symbols:
Risk Codes: 22
Safety:
Hazard Codes Xn
Risk Statements 22
WGK Germany 3
RTECS SZ5600000
PSA: 49.77000
LogP: 1.82310
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Specification

1. Introductino of O-Ethyl phenylphosphinate

The O-Ethyl phenylphosphinate, with its CAS NO.2511-09-3, its Synonyms are Phenylphosphinic acid ethyl ester ; Phosphinic acid, phenyl-, ethyl ester ; Ethyl phenylphosphinate ; Phosphinicacid, phenyl-, ethyl ester (6CI,7CI,8CI,9CI) ; Ethoxyphenylphosphine oxide and Ethyl benzenephosphinite .O-Ethyl phenylphosphinate should be stored in shady and cool warehouse.

2.Properties of O-Ethyl phenylphosphinate

(1) XLogP3-AA 1.6  (2) H-Bond Acceptor 2 (3) Rotatable Bond Count 3
(4) Exact Mass 169.041841 (5) MonoIsotopic Mass 169.041841  (6) Topological Polar Surface Area 26.3
(7) Heavy Atom Count 11 (8) Formal Charge 1 (9) Complexity 130 
(10) Covalently-Bonded Unit Count 1 (11) Feature 3D Ring Count 1 (12) Effective Rotor Count 3
(13) Conformer Sampling RMSD 0.6  (14) CID Conformer Count 10

3.Structure descriptors of O-Ethyl phenylphosphinate

IUPAC Name: ethoxy-oxo-phenylphosphanium

InChI: InChI=1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1

InChIKey: YJSXLGKPMXKZJR-UHFFFAOYSA-N

Canonical SMILES : CCO[P+](=O)C1=CC=CC=C1

4. Safety inforamtion of O-Ethyl phenylphosphinate

Hazard Codes: Harmful
Risk Statements: 22
R22:Harmful if swallowed.
WGK Germany: 3
RTECS: SZ5600000

5. Toxicity data of O-Ethyl phenylphosphinate

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 625mg/kg (625mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 57, 1950.