Acetic acid, 2-fluoro-,phenyl ester supplier

Name
1-ACETOXY-4-FLUOROBENZENE
EINECS 206-972-4
CAS No. 404-15-9
Article Data2
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₈H₇FO₂
Boiling Point 199.6 °C at 760 mmHg
Molecular Weight 154.141
Flash Point 72.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Phenyl fluoroacetate;Aceticacid, fluoro-, phenyl ester (6CI,8CI,9CI);Fluoroacetic acid phenyl ester;Phenyl 2-fluoroacetate;AC1L1TX1;AC1Q61MP;CID9829;AR-1L0469;LS-12181;
PSA 26.30000
LogP 1.75100

Acetic acid, 2-fluoro-,phenyl ester Specification

The Acetic acid, 2-fluoro-,phenyl ester with CAS registry number of 404-15-9 is also known as Fluoroacetic acid phenyl ester. The IUPAC name is Phenyl 2-fluoroacetate. In addition, the formula is C₈H₇FO₂ and the molecular weight is 154.14.

Physical properties about Acetic acid, 2-fluoro-,phenyl ester are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.93; (6)ACD/BCF (pH 7.4): 9.93; (7)ACD/KOC (pH 5.5): 179.99; (8)ACD/KOC (pH 7.4): 179.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 37.75 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 14.96×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 43.58 kJ/mol; (21)Boiling Point: 199.6 °C at 760 mmHg; (22)Vapour Pressure: 0.338 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(Oc1ccccc1)CF
2. InChI: InChI=1/C8H7FO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
3. InChIKey: HSLTXXUPJDQIFD-UHFFFAOYAP
4. Std. InChI: InChI=1S/C8H7FO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6H2
5. Std. InChIKey: HSLTXXUPJDQIFD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	6mg/kg (6mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of the Chemical Society. Vol. -, Pg. 1773, 1948.

Product Name

1-ACETOXY-4-FLUOROBENZENE

Acetic acid, 2-fluoro-,phenyl ester Specification

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