(E)-4-(2-chloro-6-fluoro-phenyl)but-3-en-2-one supplier

Name
2-CHLORO-6-FLUOROBENZYLIDENEACETONE
EINECS -0
CAS No. 175136-82-0
Article Data3
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClFO
Boiling Point 291.5 °C at 760 mmHg
Molecular Weight 198.62
Flash Point 130.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (3E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one;But-3-en-2-one, 4-(2-chloro-6-fluorophenyl)-;
PSA 17.07000
LogP 3.08130

(E)-4-(2-chloro-6-fluoro-phenyl)but-3-en-2-one Specification

The (E)-4-(2-chloro-6-fluoro-phenyl)but-3-en-2-one, with the CAS registry number 175136-82-0, has the systematic name of (3E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₈ClFO.

The characteristics of (E)-4-(2-chloro-6-fluoro-phenyl)but-3-en-2-one are as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 51.69 cm³; (9)Molar Volume: 160.1 cm³; (10)Polarizability: 20.49×10^-24cm³; (11)Surface Tension: 38.1 dyne/cm; (12)Density: 1.239 g/cm³; (13)Flash Point: 130.1 °C; (14)Enthalpy of Vaporization: 53.09 kJ/mol; (15)Boiling Point: 291.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00195 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cccc(F)c1/C=C/C(=O)C
(2)InChI: InChI=1/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+
(3)InChIKey: VZRBDBXFAKDNDJ-AATRIKPKBZ

Product Name

2-CHLORO-6-FLUOROBENZYLIDENEACETONE

(E)-4-(2-chloro-6-fluoro-phenyl)but-3-en-2-one Specification

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