Basic information
- Standard SMILES
COCC#N- InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N- Molecular formula
- C3H5NO
- Average molar mass
- 71.08 g/mol
Overview
Methoxyacetonitrile is an aliphatic nitrile that is acetonitrile in which one of the methyl hydrogens is substituted by a methoxy group. It has a role as a polar solvent. It is an ether and an aliphatic nitrile.
Names & identifiers
- Preferred name
- Methoxyacetonitrile
- IUPAC
- 2-methoxyacetonitrile
- English name
- 2-methoxyacetonitrile
- Molecular formula
- C3H5NO
- Molecular weight
- 71.0779
Names & synonyms
Methoxyacetonitrile1738-36-9Acetonitrile, methoxy-Acetonitrile, 2-methoxy-NCCH2OCH3EINECS 217-092-5NSC 26905DTXSID2061937RefChem:157060DTXCID9035549217-092-5InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H
Show more names
QKPVEISEHYYHRH-UHFFFAOYSA-N2-methoxyacetonitrileMFCD00001892methoxyethanenitrileNSC26905methoxymethyl cyanide2-methoxy acetonitrile2-methoxy-acetonitrile
Database identifiers
- CAS
135086-35-0- ChEBI
CHEBI:234492- EC Number
- 217-092-5
- Nikkaji
- J148.020K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 51.2
Experimental & physicochemical properties
SpringerMaterials PropertiesMolecular structure
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationMethoxyacetonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2-methoxy-: INACTIVE
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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