1-Butanone,4,4,4-trichloro-3-hydroxy-1-phenyl- supplier

Name
4,4,4-TRICHLORO-3-HYDROXY-1-PHENYL-BUTAN-1-ONE
EINECS
CAS No. 13505-41-4
Article Data6
CAS DataBase
Density 1.437 g/cm³
Solubility
Melting Point
Formula C₁₀H₉Cl₃O₂
Boiling Point 396.2 °C at 760 mmHg
Molecular Weight 267.539
Flash Point 193.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyrophenone,4,4,4-trichloro-3-hydroxy- (8CI);NSC 173296;
PSA 37.30000
LogP 2.99050

1-Butanone,4,4,4-trichloro-3-hydroxy-1-phenyl- Specification

The 1-Butanone,4,4,4-trichloro-3-hydroxy-1-phenyl-, with the CAS registry number 13505-41-4, is also known as 4,4,4-Trichloro-3-hydroxy-1-phenyl-1-butanone. This chemical's molecular formula is C₁₀H₉Cl₃O₂ and molecular weight is 267.5363. What's more, both its IUPAC name and systematic name are the same which is called 4,4,4-Trichloro-3-hydroxy-1-phenylbutan-1-one.

Physical properties about 1-Butanone,4,4,4-trichloro-3-hydroxy-1-phenyl- are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 61.55 cm³; (9)Molar Volume: 186 cm³; (10)Surface Tension: 50.7 dyne/cm; (11)Density: 1.437 g/cm³; (12)Flash Point: 193.4 °C; (13)Enthalpy of Vaporization: 68.18 kJ/mol; (14)Boiling Point: 396.2 °C at 760 mmHg; (15)Vapour Pressure: 5.46E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)CC(O)C(Cl)(Cl)Cl
(2) InChI: InChI=1/C10H9Cl3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5,9,15H,6H2
(3) InChIKey: JTJFOKGHNOVCTC-UHFFFAOYAP

Product Name

4,4,4-TRICHLORO-3-HYDROXY-1-PHENYL-BUTAN-1-ONE

1-Butanone,4,4,4-trichloro-3-hydroxy-1-phenyl- Specification

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