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Cas Database |
| Name |
Benzeneacetonitrile,4-chloro-a-[(dimethylamino)methylene]- |
EINECS | N/A |
| CAS No. | 40373-88-4 | Density | 1.152 g/cm3 |
| PSA | 27.03000 | LogP | 2.76608 |
| Solubility | N/A | Melting Point |
92-94 °C |
| Formula | C11H11ClN2 | Boiling Point | 412.5 °C at 760 mmHg |
| Molecular Weight | 206.675 | Flash Point | 203.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(N,N-Dimethylamino)-2-(p-chlorophenyl)acrylonitrile;2-(4-chlorophenyl)-3-(dimethylamino)acrylonitrile;1-Cyano-1-(4-chlorophenyl)-2-(dimethylamino)ethene, mixture of E and Z forms; |
Article Data | 3 |
Benzeneacetonitrile,4-chloro-a-[(dimethylamino)methylene]- Specification
The CAS register number of Benzeneacetonitrile,4-chloro-a-[(dimethylamino)methylene]- is 40373-88-4. It also can be called as 2-(4-chlorophenyl)-3-(dimethylamino)acrylonitrile and the systematic name about this chemical is (2Z)-2-(4-chlorophenyl)-3-(dimethylamino)prop-2-enenitrile. The molecular formula about this chemical is C11H11ClN2 and the molecular weight is 206.67.
Physical properties about Benzeneacetonitrile,4-chloro-a-[(dimethylamino)methylene]- are: (1)ACD/LogP: 3.30; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.03Å2; (5)Index of Refraction: 1.566; (6)Molar Refractivity: 58.58 cm3; (7)Molar Volume: 179.3 cm3; (8)Polarizability: 23.22x10-24cm3; (9)Surface Tension: 43.2 dyne/cm; (10)Flash Point: 203.3 °C; (11)Enthalpy of Vaporization: 66.51 kJ/mol; (12)Boiling Point: 412.5 °C at 760 mmHg; (13)Vapour Pressure: 5.16E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(C(/C#N)=C/N(C)C)cc1
(2)InChI: InChI=1/C11H11ClN2/c1-14(2)8-10(7-13)9-3-5-11(12)6-4-9/h3-6,8H,1-2H3/b10-8+
(3)InChIKey: XWVICHJROMBTEV-CSKARUKUBR
(4)Std. InChI: InChI=1S/C11H11ClN2/c1-14(2)8-10(7-13)9-3-5-11(12)6-4-9/h3-6,8H,1-2H3/b10-8+
(5)Std. InChIKey: XWVICHJROMBTEV-CSKARUKUSA-N
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