Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl- supplier

Name
4-CHLOROBENZOIN
EINECS
CAS No. 39774-18-0
Article Data13
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point 89-93 °C
Formula C₁₄H₁₁ClO₂
Boiling Point 407.098 °C at 760 mmHg
Molecular Weight 246.693
Flash Point 200.006 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoin,4-chloro- (3CI);4-Chlorobenzoin;
PSA 37.30000
LogP 3.25630

Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl- Specification

The Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-, with the CAS registry number 39774-18-0, is also known as 4-Chlorobenzoin. This chemical's molecular formula is C₁₄H₁₁ClO₂ and molecular weight is 246.69. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Chlorophenyl)-2-hydroxy-2-phenylethanone. When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health if swallowed. Therefore, you should wear suitable protective clothing and gloves.

Physical properties about Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl-: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 81; (6)ACD/BCF (pH 7.4): 81; (7)ACD/KOC (pH 5.5): 810; (8)ACD/KOC (pH 7.4): 810; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å²; (13) Index of Refraction: 1.618; (14)Molar Refractivity: 67.201 cm³; (15) Molar Volume: 191.871 cm³; (16)Surface Tension: 52.253 dyne/cm; (17)Density: 1.286 g/cm³; (18)Flash Point: 200.006 °C; (19)Enthalpy of Vaporization: 69.481 kJ/mol; (20)Boiling Point: 407.098 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C; (22)Melting point: 89-93 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(O)c2ccccc2
(2) InChI: InChI=1/C14H11ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,13,16H
(3) InChIKey: XYUKKJIDPMMCMJ-UHFFFAOYAI

Product Name

4-CHLOROBENZOIN

Ethanone,1-(4-chlorophenyl)-2-hydroxy-2-phenyl- Specification

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