1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone supplier

Name
1-{4-[bis(2-chloroethyl)amino]phenyl}ethanone
EINECS
CAS No. 20805-66-7
Density 1.212 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅Cl₂NO
Boiling Point 397.296 °C at 760 mmHg
Molecular Weight 260.16
Flash Point 194.078 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanone, 1-(4-(bis(2-chloroethyl)amino)phenyl)-;
PSA
LogP

1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone Specification

1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone is an organic compound with the formula C₁₂H₁₅Cl₂NO, and its systematic name is the same with the product name. With the CAS registry number 20805-66-7, it is also named as Ethanone, 1-(4-(bis(2-chloroethyl)amino)phenyl)-. In addition, the molecular weight is 260.16.

Physical properties of 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone are: (1)ACD/LogP: 2.835; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.07; (6)ACD/BCF (pH 7.4): 84.08; (7)ACD/KOC (pH 5.5): 830.35; (8)ACD/KOC (pH 7.4): 830.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 69.559 cm³; (15)Molar Volume: 214.738 cm³; (16)Polarizability: 27.575×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 194.078 °C; (20)Enthalpy of Vaporization: 64.772 kJ/mol; (21)Boiling Point: 397.296 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCN(c1ccc(cc1)C(=O)C)CCCl
(2)Std. InChI: InChI=1S/C12H15Cl2NO/c1-10(16)11-2-4-12(5-3-11)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3
(3)Std. InChIKey: KWFNQPQHPUCUAI-UHFFFAOYSA-N

Product Name

1-{4-[bis(2-chloroethyl)amino]phenyl}ethanone

1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone Specification

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