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625-17-2

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Basic Information
CAS No.: 625-17-2
Name: Fluorophosphonic acid di-sec-butyl ester
Article Data: 4
Molecular Structure:
Molecular Structure of 625-17-2 (Fluorophosphonic acid di-sec-butyl ester)
Formula: C8H18FO3P
Molecular Weight: 212.23
Synonyms: Phosphorsaeure-di-(+/-)-sek.-butylester-fluorid;Phosphorsaeure-di-(+/-)-sec-butylester-fluorid;(+/-)-Di-sek.-butyl-fluorophosphat;DI-SEC-BUTYL FLUOROPHOSPHONATE;
Density: 1.041g/cm3
Boiling Point: 225.1°C at 760 mmHg
Flash Point: 89.9°C
Safety: Poison by inhalation. Human systemic effects by inhalation including: miosis (pupillary constriction), somnolence, and respiratory changes. When heated to decomposition it emits very toxic fumes of F− and POx.
PSA: 45.34000
LogP: 3.69420
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Chemistry

Empirical Formula of Di-sec-butyl fluorophosphate (CAS NO.625-17-2): C8H18FO3P
Molecular Weight: 212.1989 
Index of Refraction: 1.401
Density: 1.041 g/cm3
Flash Point: 89.9 °C
Enthalpy of Vaporization: 44.28 kJ/mol
Boiling Point: 225.1 °C at 760 mmHg
Vapour Pressure: 0.132 mmHg at 25 °C
Structure of Di-sec-butyl fluorophosphate (CAS NO.625-17-2):
                         
IUPAC Name: 2-[Butan-2-yloxy(fluoro)phosphoryl]oxybutane
Canonical SMILES: CCC(C)OP(=O)(OC(C)CC)F
InChI: InChI=1S/C8H18FO3P/c1-5-7(3)11-13(9,10)12-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKey: JZZAQBZVRYPEAM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ihl-man TCLo:1 ppm/5M:EYE,CNS,PUL

     JCSOA9    Journal of the Chemical Society.1949,635.
2.    

ihl-rat LC50:4 g/kg/m3/10M

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .
3.    

ihl-mus LC50:540 mg/m3/10M

     JCSOA9    Journal of the Chemical Society.1949,635.
4.    

ihl-dog LC50:4 g/m3/10M

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB-158-508 .
5.    

ihl-mky LC50:100 mg/m3/2M

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .
6.    

ihl-cat LC50:6 g/m3/10M

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .
7.    

ihl-rbt LC50:5 g/m3/10M

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB158-508 .

Safety Profile

Poison by inhalation. Human systemic effects by inhalation including: miosis (pupillary constriction), somnolence, and respiratory changes. When heated to decomposition Di-sec-butyl fluorophosphate (CAS NO.625-17-2) emits very toxic fumes of F− and POx.

Specification

 Di-sec-butyl fluorophosphate , its cas register number is 625-17-2. It also can be called Phosphorofluoridic acid, di-sec-butyl ester ; T-1835 ; TL 1266 ; and Di-sec-butyl fluorophosphonate .