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Cas Database |
| Name |
2-Propenenitrile,3-methoxy-2-(methoxymethyl)- |
EINECS | 216-538-6 |
| CAS No. | 1608-82-8 | Density | 1 g/cm3 |
| PSA | 42.25000 | LogP | 0.68668 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H9NO2 | Boiling Point | 216.5 °C at 760 mmHg |
| Molecular Weight | 127.143 | Flash Point | 91.8 °C |
| Transport Information | N/A | Appearance | Clear yellow-brown liquid |
| Safety | Risk Codes | R20/21/22; R36/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Acrylonitrile,3-methoxy-2-(methoxymethyl)- (6CI,7CI,8CI);2-(Methoxymethyl)-3-methoxyacrylonitrile;2-(Methoxymethylene)-3-methoxypropionitrile;a-Methoxymethyl-b-methoxyacrylonitrile;3-Methoxy-2-(methoxymethyl)acrylonitrile; |
Article Data | 9 |
2-Propenenitrile,3-methoxy-2-(methoxymethyl)- Specification
The 2-Propenenitrile,3-methoxy-2-(methoxymethyl)-, with the CAS registry number 1608-82-8, is also known as 2-Methoxymethyl-3-methoxypropenenitrile. Its EINECS number is 216-538-6. This chemical's molecular formula is C6H9NO2 and molecular weight is 127.14. What's more, its systematic name is 3-Methoxy-2-(methoxymethyl)acrylonitrile.
Physical properties of 2-Propenenitrile,3-methoxy-2-(methoxymethyl)- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.71; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 71.08; (8)ACD/KOC (pH 7.4): 71.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 33.15 cm3; (15)Molar Volume: 127 cm3; (16)Polarizability: 13.14×10-24 cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1 g/cm3; (19)Flash Point: 91.8 °C; (20)Enthalpy of Vaporization: 45.29 kJ/mol; (21)Boiling Point: 216.5 °C at 760 mmHg; (22)Vapour Pressure: 0.14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(=C\OC)COC
(2)InChI: InChI=1S/C6H9NO2/c1-8-4-6(3-7)5-9-2/h4H,5H2,1-2H3/b6-4+
(3)InChIKey: QZFRWRSOUHEOFM-GQCTYLIASA-N
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