-
Name
N-[2-(Phenylmethyl)phenyl]-2-chloroacetamide
- EINECS
- CAS No. 21535-43-3
- Article Data4
- CAS DataBase
- Density 1.217 g/cm3
- Solubility
- Melting Point 113-114 °C
- Formula C15H14ClNO
- Boiling Point 443.2 °C at 760 mmHg
- Molecular Weight 259.735
- Flash Point 221.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms o-Acetotoluidide,2-chloro-a-phenyl- (6CI,8CI);N-[2-(Phenylmethyl)phenyl]-2-chloroacetamide;
- PSA 29.10000
- LogP 3.52770
N-[2-(Phenylmethyl)phenyl]-2-chloroacetamide Specification
The CAS register number of N-[2-(Phenylmethyl)phenyl]-2-chloroacetamide is 21535-43-3. It also can be called as Acetamide,2-chloro-N-[2-(phenylmethyl)phenyl]- and the systematic name about this chemical is N-(2-benzylphenyl)-2-chloroacetamide. The molecular formula about this chemical is C15H14ClNO and molecular weight is 259.73.
Physical properties about N-[2-(Phenylmethyl)phenyl]-2-chloroacetamide are: (1)ACD/LogP: 3.62; (2)ACD/LogD (pH 5.5): 3.62; (3)ACD/LogD (pH 7.4): 3.62; (4)ACD/BCF (pH 5.5): 330.75; (5)ACD/BCF (pH 7.4): 330.75; (6)ACD/KOC (pH 5.5): 2213.4; (7)ACD/KOC (pH 7.4): 2213.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 74.68 cm3; (14)Molar Volume: 213.3 cm3; (15)Polarizability: 29.6x10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Enthalpy of Vaporization: 70.08 kJ/mol; (18)Boiling Point: 443.2 °C at 760 mmHg; (19)Vapour Pressure: 4.73E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1Cc2ccccc2)CCl
(2)InChI: InChI=1/C15H14ClNO/c16-11-15(18)17-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
(3)InChIKey: YZCYKOPNFLUUIN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H14ClNO/c16-11-15(18)17-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
(5)Std. InChIKey: YZCYKOPNFLUUIN-UHFFFAOYSA-N
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