| Identification | More | [Name]
3-Methoxypropionitrile | [CAS]
110-67-8 | [Synonyms]
2-METHOXYETHYL CYANIDE
3-METHOXYPROPIONITRILE
3-MOPN
BETA-METHOXYPROPIONITRILE
β-Methoxyethyl cyanide
METHOXYPROPIONITRILE
MOPN
1-Cyano-2-methoxyethane
2-Cyanoethyl methyl ether
2-cyanoethylmethylether
3-methoxy-propanenitril
3-Methoxypropanenitrile
3-Methoxypropannitril
3-methoxy-propionitril
3-Methoxypropylnitrile
3-Metoxypropionitrile
ai3-25449
beta-methoxypropionitril
beta-Methyoxypropionitrile
-Methoxycyanoethane | [EINECS(EC#)]
203-790-7 | [Molecular Formula]
C4H7NO | [MDL Number]
MFCD00001958 | [Molecular Weight]
85.1 | [MOL File]
110-67-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
-62.9 °C
| [Boiling point ]
164-165 °C (lit.) | [density ]
0.937 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.3 hPa (30 °C) | [refractive index ]
n20/D 1.403(lit.)
| [Fp ]
66 °C
| [storage temp. ]
2-8°C | [solubility ]
540g/l | [form ]
Liquid | [color ]
Clear colorless to yellow | [Specific Gravity]
0.946 | [PH]
6.8 (111g/l, H2O, 25℃) | [explosive limit]
1.9-15.3%(V) | [Water Solubility ]
335 g/L (20 ºC) | [BRN ]
1739284 | [InChI]
1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3 | [InChIKey]
OOWFYDWAMOKVSF-UHFFFAOYSA-N | [SMILES]
COCCC#N | [CAS DataBase Reference]
110-67-8(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Methoxypropionitrile(110-67-8) | [Storage Precautions]
Moisture sensitive | [EPA Substance Registry System]
110-67-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
3276 | [WGK Germany ]
2
| [RTECS ]
TZ4870000
| [Autoignition Temperature]
390 °C DIN 51794 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2 | [Toxicity]
LD50 orally in Rabbit: 4130 mg/kg LD50 dermal Rabbit > 9400 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellow liquid | [Uses]
3-Methoxypropionitrile is used as a component in high power lithium ion batteries. It is used as pharmaceutical intermediates. It acts as a good solvent for plastic polymers. | [Synthesis]
GENERAL PROCEDURE: To a solution of activated 2-acrylonitrile (0.5 mmol) in methanol (2.0 mmol) was added Na2CO3 (0.2 mL, 0.05 M aqueous solution) and the reaction mixture was stirred until the 2-acrylonitrile was either completely consumed (monitored by TLC) or a predetermined reaction time was reached. Upon completion of the reaction, the reaction mixture was extracted with ethyl acetate (3 x 5 mL). The organic layers were combined, washed with brine (10 mL), dried over anhydrous Na2SO4, filtered, and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography to give 3-methoxypropionitrile. | [References]
[1] Inorganic Chemistry, 2010, vol. 49, # 13, p. 6203 - 6213
[2] Tetrahedron, 2011, vol. 67, # 14, p. 2562 - 2569
[3] Tetrahedron, 1981, vol. 37, # 16, p. 2905 - 2908
[4] Tetrahedron Letters, 2014, vol. 55, # 49, p. 6718 - 6720
[5] Journal of the American Chemical Society, 2003, vol. 125, # 29, p. 8696 - 8697 |
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