2-Propenenitrile,3-methoxy-2-(methoxymethyl)- supplier

Name
2-METHOXYMETHYL-3-METHOXYPROPENENITRILE, MIXTURE OF CIS AND TRANS,97%
EINECS 216-538-6
CAS No. 1608-82-8
Article Data9
CAS DataBase
Density 1 g/cm³
Solubility
Melting Point
Formula C₆H₉NO₂
Boiling Point 216.5 °C at 760 mmHg
Molecular Weight 127.143
Flash Point 91.8 °C
Transport Information
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;
PSA 42.25000
LogP 0.68668

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^-24cm³; (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

Product Name

2-METHOXYMETHYL-3-METHOXYPROPENENITRILE, MIXTURE OF CIS AND TRANS,97%

2-Propenenitrile,3-methoxy-2-(methoxymethyl)- Specification

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